4.7 Review

Engineering the spin configuration of electrocatalysts for electrochemical renewable conversions

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Article Chemistry, Physical

Spin regulation for efficient electrocatalytic N2 reduction over diatomic Fe-Mo catalyst

Shuaishuai Gao et al.

Summary: Electrocatalytic nitrogen reduction reaction (eNRR) has been studied using Fe-transition metal (TM) hybrid heteronuclear dual-atom catalysts with atomic spin regulation. Fe/Mo-N-C is found to be an excellent catalyst for NRR, which can effectively reduce the limiting potential and suppress HER. The research provides new insights into the mechanism of nitrogenase and the rational design of efficient NRR catalysts.

JOURNAL OF COLLOID AND INTERFACE SCIENCE (2023)

Article Materials Science, Multidisciplinary

Triggering heteroatomic interdiffusion in one-pot-oxidation synthesized NiO/CuFeO2 heterojunction photocathodes for efficient solar hydrogen production from water splitting

Fei Han et al.

Summary: Researchers developed a heterostructure photocathode by combining Cu-doped NiO (Cu:NiO) hole selective layer and Ni-doped CuFeO2 (Ni:CuFeO2) active layer, which greatly improved the separation efficiency of photogenerated carriers. The Cu:NiO/Ni:CuFeO2 photocathode exhibited a photocurrent density of 0.9 mA·cm(-2), outperforming most reported bare CuFeO2 photocathodes.

RARE METALS (2023)

Article Chemistry, Multidisciplinary

Tailoring Spin State of Perovskite Oxides by Fluorine Atom Doping for Efficient Oxygen Electrocatalysis

Jiaqi Ran et al.

Summary: Promoting the initially deficient but economical catalysts to high-performing competitors is important for developing superior catalysts. This work focuses on intrinsic catalytic activity enhancement via heteroatom doping strategies, which alter lattice distortion and optimize spin-dependent orbital interaction to improve charge transfer between catalysts and reactants. Experimental results show that fluorine-doped lanthanum cobaltate exhibits excellent electrocatalytic activity in oxygen evolution reaction and oxygen reduction reaction. Theoretical calculations reveal that the enhanced performance is attributed to the spin state transition of Co3+ and the upshift of the d-band center due to F atom incorporation.
Review Chemistry, Multidisciplinary

Advances in Spin Catalysts for Oxygen Evolution and Reduction Reactions

Haoyun Bai et al.

Summary: This review discusses the recent development of spin catalysts and explores the origins for the improved catalytic activity. Firstly, an introduction is given on the applications and advances in spin-related catalytic phenomena, followed by the fundamental principles of spin catalysts and magnetic fields-radical reactions. The spin-related catalytic performance reported in oxygen evolution/reduction reaction (OER/ORR) is systematically discussed, and general rules are summarized accordingly. Finally, the challenges and perspectives are provided.
Article Chemistry, Physical

Revealing Spin Magnetic Effect of Iron-Group Layered Double Hydroxides with Enhanced Oxygen Catalysis

Liu Lin et al.

Summary: Based on experimental and theoretical studies, the spin-magnetic effect of iron group layered double hydroxides (LDHs) was found to enhance the oxygen evolution reaction (OER) process. The saturation magnetization of iron group LDHs positively correlates with their OER performance under different magnetic fields. Among the tested LDHs, NiCoFe-LDHs show the strongest OER activity and saturation magnetization.

ACS CATALYSIS (2023)

Article Chemistry, Physical

Engineering Electronic Spin State of a CoNi Alloy for an Efficient Oxygen Reduction Reaction

Qingyue Xue et al.

Summary: Developing cost-effective electrocatalysts is crucial in improving the performance of metal-air batteries. In this study, a CoNi alloy encapsulated in an N-doped carbon framework (CoNi@NC) with high magnetization was prepared using nanoalloying, and an external magnetic field was used to enhance the ORR performance. The electronic structure of CoNi@NC was optimized, resulting in Pt/C-comparable ORR performance. The CoNi@NC-based Al-air battery with magnet exhibited higher power density and better durability compared to Pt/C. This work provides a promising approach to enhancing oxygen reduction activity for metal-air batteries using magnetic induction.

ACS APPLIED ENERGY MATERIALS (2023)

Article Chemistry, Multidisciplinary

Predicting Kinetics and Dynamics of Spin-Dependent Processes

Ilya D. Dergachev et al.

Accounts of Chemical Research (2023)

Article Chemistry, Multidisciplinary

Large Annular Dipoles Bounded between Single-Atom Co and Co Cluster for Clarifying Electromagnetic Wave Absorbing Mechanism

Hu Liu et al.

Summary: By controlling the concentration of copper atoms, the dipole polarization and relaxation of the copper atoms can be adjusted, thus achieving optimized dipole moments and excellent absorption performance.

ADVANCED FUNCTIONAL MATERIALS (2023)

Article Chemistry, Multidisciplinary

Evoking Cooperative Geometric and Electronic Interactions at Nanometer Coherent Interfaces toward Enhanced Electrocatalysis

Huijun Song et al.

Summary: Integrating high-valence metal sites into transition metal-based oxygen evolution reaction (OER) catalysts has been a prevailing solution to replace noble metal-based electrocatalysts. However, stabilizing the thermodynamically unfavorable high-valence metal sites within the electrocatalyst remains a challenge. To address this issue, a general strategy is proposed that involves cooperative geometric and electronic interactions at nanometer coherent interfaces, resulting in stabilized interfacial high-valence metal sites within homogeneously distributed heterostructures and enhanced electrocatalytic activity.

ADVANCED FUNCTIONAL MATERIALS (2023)

Article Chemistry, Multidisciplinary

Surface Self-Reconstruction of Fe-Ni3S2 Electrocatalyst for Value-Generating Nitrile Evolution Reaction to Drive Efficient Hydrogen Production

Lingzhi Sun et al.

Summary: DFT calculations are used to adjust the local coordination environment and electronic structure of Ni3S2 by Fe doping, promoting the self-reconstruction of catalyst and improving the nitrile evolution reaction performance. Benzylamine electrooxidation coupled with hydrogen production achieved a 14.5-fold improvement in hydrogen production compared to water electrolysis, converting benzylamine to high-value benzonitrile with a 99% product yield. Fe doping induced surface self-reconstruction of Ni3S2 to NiOOH, reducing the energy barriers for C-N bonds to C(sic)N bonds.

ADVANCED FUNCTIONAL MATERIALS (2023)

Article Chemistry, Multidisciplinary

Enhanced Magnetization in CoFe2O4 Through Hydrogen Doping

Zhuolu Li et al.

Summary: Magnetic spinel oxides have been extensively studied due to their rich physics and wide range of applications. However, structural imperfections often lead to suppressed magnetization. In this study, an enhanced magnetization of CoFe2O4 (CFO) was achieved through ionic liquid gating induced hydrogen doping, resulting in a 5 mu(B)/u.c increase. The intercalated hydrogen ions induced lattice expansion and Fe valence state reduction, leading to a site-specific spin-flip and enhancing the net ferrimagnetic moment.

ADVANCED FUNCTIONAL MATERIALS (2023)

Article Chemistry, Multidisciplinary

Reinforcing Co-O Covalency via Ce(4f)O(2p)Co(3d) Gradient Orbital Coupling for High-Efficiency Oxygen Evolution

Meng Li et al.

Summary: In this work, a high-performance P-Ce SAs@CoO catalyst was designed and synthesized, and its oxygen evolution reaction (OER) mechanism and active sites were investigated through experimental and theoretical analysis. The results provide a basis for the structural design and mechanistic understanding of high-performance RE-TMO catalysts.

ADVANCED MATERIALS (2023)

Review Chemistry, Multidisciplinary

Metal Alloys-Structured Electrocatalysts: Metal-Metal Interactions, Coordination Microenvironments, and Structural Property-Reactivity Relationships

Chengdong Yang et al.

Summary: This timely review comprehensively summarizes the recent advancements in creating metal alloys-structured electrocatalysts (MAECs), including the metal-metal interactions, coordination microenvironments, and structural property-reactivity relationships. The review thoroughly discusses the recent breakthroughs on electrocatalytic merits, modulation strategies, bond interactions, theoretical understanding, and operando techniques for mechanism disclosure of MAECs, providing significant stimulation for future utilization of MAECs.

ADVANCED MATERIALS (2023)

Article Chemistry, Multidisciplinary

Regulating Spin Polarization through Cationic Vacancy Defects in Bi4Ti3O12 for Enhanced Molecular Oxygen Activation

Dongpeng Zhang et al.

Summary: This study successfully activated molecular oxygen (O-2) for water purification by using cationic defect-rich Bi4Ti3O12 (BTO-MV2) catalysts. The V-Ti on BTO nanosheets induced electron spin polarization, increasing the number of spin-down photogenerated electrons and reducing electron-hole pair recombination. The active surface V-Ti served as a center for adsorbing O2 and extracting electrons, effectively generating (OH)-O-circle, O-2 (circle-), and O-1(2). The degradation rate constant of tetracycline achieved by BTO-MV2 was 3.3 times faster than BTO, indicating promising practical applications.

ANGEWANDTE CHEMIE-INTERNATIONAL EDITION (2023)

Article Chemistry, Multidisciplinary

Regulated High-Spin State and Constrained Charge Behavior of Active Cobalt Sites in Covalent Organic Frameworks for Promoting Electrocatalytic Oxygen Reduction

Zhi-yuan Mei et al.

Summary: A new type of covalent organic frameworks has been developed by assembling cobalt-nitrogen-carbon configurations onto carbon nanotubes using linkers with different electronic effects. This innovative method has resulted in an efficient electrocatalyst for oxygen reduction, which is understood through in situ spectroelectrochemistry and the bond order theorem. The strong interaction between the carbon nanotubes and the linker helps mitigate charge loss at cobalt sites and induces a high spin state, leading to improved oxygen reduction capability. This work provides valuable insights into designing high-performance electrocatalysts by regulating the electronic configuration and charge behavior of active sites.

ANGEWANDTE CHEMIE-INTERNATIONAL EDITION (2023)

Article Chemistry, Multidisciplinary

Spin-Enhanced O-H Cleavage in Electrochemical Water Oxidation

Qing Huang et al.

Summary: In this study, we highlight the important role of spin polarization in proton-transfer-mediated water oxidation over a magnetized catalyst. The electrochemical oxygen evolution reaction (OER) over ferrimagnetic Fe3O4 exhibited a significant increase in current when subjected to an external magnetic field, with a 20-fold higher increment at weakly alkaline pH (pH 9) compared to strongly alkaline conditions (pH 14). Surface modification experiments and H/D kinetic isotope effect investigations revealed that the magnetized Fe3O4 catalyst polarizes the spin states of nucleophilic attacking intermediates during the nucleophilic attack of Fe-IV=O by molecular water at weakly alkaline pH. The synergistic occurrence of spin-enhanced singlet O-H cleavage and triplet O-O bonding promotes O-2 generation more significantly than the case involving only spin-enhanced O-O bonding under strongly alkaline conditions.

ANGEWANDTE CHEMIE-INTERNATIONAL EDITION (2023)

Article Energy & Fuels

Optimisation of the electronic structure by rare earth doping to enhance the bifunctional catalytic activity of perovskites

Lincheng Xu et al.

Summary: Understanding the rare-earth mediated modulation of electronic structure and orbital filling in perovskites is crucial for designing highly active catalysts. This study doped LaMnO3 with Gd3+ at the A-site, triggering the B-site active center and improving the covalency of Mn-O bond and oxygen vacancy concentration. DFT calculations revealed optimized electronic structure and catalytic activity in La0.8Gd0.2MnO3, resulting in improved performance of zinc-air cells with La0.8Gd0.2MnO3 as the cathode catalyst.

APPLIED ENERGY (2023)

Article Chemistry, Multidisciplinary

Reconstruction of Thiospinel to Active Sites and Spin Channels for Water Oxidation

Tianze Wu et al.

Summary: Water electrolysis is a promising technique for carbon neutral hydrogen production, but the development of robust and low-cost anode catalysts is still a challenge. This study reports the unique reconstruction behaviors of a pre-catalyst, CoFe2S4, and its reconstruction chemistry for high oxygen evolution reaction (OER) activity. The reconstructed CoFe2S4 shows an interface spin channel that optimizes the energetics of OER steps and facilitates spin sensitive electron transfer to reduce the kinetic barrier of O-O coupling. The advantage of this reconstruction is also demonstrated in a membrane electrode assembly (MEA) electrolyzer.

ADVANCED MATERIALS (2023)

Article Engineering, Environmental

Engineering electron redistribution of bimetallic phosphates with CeO2 enables high-performance overall water splitting

Xin Guo et al.

Summary: By using surface CeO2-decoration strategy, the surface electron distribution of bimetallic phosphides can be regulated to enhance their alkaline hydrogen evolution reaction (HER) activity. CeO2-NiCoP exhibits significantly enhanced HER catalytic activity with low overpotentials of 84, 202 and 242 mV at the current densities of 10, 500 and 1000 mA cm-2, respectively, much lower than those of NiCoP counterparts.

CHEMICAL ENGINEERING JOURNAL (2023)

Article Engineering, Environmental

Engineering high-spin state cobalt cations in spinel ZnCo2O4 for spin channel propagation and electrocatalytic activity enhancement in Li-O2 battery

Longfei Ren et al.

Summary: Spinel zinc cobalt oxide (ZnCo2O4) is a promising electrocatalyst for ORR and OER. Regulating the spin state of cobalt cations in ZnCo2O4 enhances the spin-selected charge transfer during the reactions, resulting in abundant active sites for intermediates adsorption. Synthesis of ZnCo2O4 with high-spin cobalt cations through increasing calcination temperature enables Li-O-2 batteries to exhibit low overpotential and excellent durability. This work highlights the critical role of electron spin state in facilitating oxygen redox reactions.

CHEMICAL ENGINEERING JOURNAL (2023)

Review Chemistry, Inorganic & Nuclear

Recent progress in the design and functionalization strategies of transition metal-based layered double hydroxides for enhanced oxygen evolution reaction: A critical review

Priyadarshi Roy Chowdhury et al.

Summary: Transition metal-based layered double hydroxides (LDH) show exceptional efficiency in the oxygen evolution reaction (OER) and have potential applications in fuel cells and energy storage systems. This review discusses the latest developments in transition metal-based LDH, including OER effectiveness, defect engineering, topology, and electron transport. It aims to fill knowledge gaps and open new avenues for LDH research.

COORDINATION CHEMISTRY REVIEWS (2023)

Article Engineering, Environmental

Improved Electronic Structure from Spin-State Reconstruction of a Heteronuclear Fe-Co Diatomic Pair to Boost the Fenton-like Reaction

Zhendong Zhao et al.

Summary: Dual-atom catalysts (DACs) show great potential in various catalytic reactions, but the origin of their high activity and the mechanism behind the enhancement are still not well understood. In this study, FeCo-N/C dual-atom catalyst was compared with its single-atom counterparts in activating peroxymonosulfate (PMS) for pollutant abatement. It was found that the spin-state reconstruction on FeCo-N/C effectively improves the electronic structure of Fe and Co, leading to enhanced PMS activation efficiency and a remarkable boost in the Fenton-like reaction. The study provides a mechanistic understanding of the enhanced catalytic activity of DACs and expands their potential applications.

ENVIRONMENTAL SCIENCE & TECHNOLOGY (2023)

Article Materials Science, Multidisciplinary

Enhancing oxygen reduction reaction of Pt-Co/C nanocatalysts via synergetic effect between Pt and Co prepared by one-pot synthesis

Yun-Feng Wu et al.

Summary: Designing highly active and durable electrocatalysts for oxygen reduction reaction (ORR) is crucial for proton exchange membrane fuel cells. In this study, Pt-Co catalysts were synthesized using a facile soft-chemistry method, and they exhibited excellent activity and durability. Pt3Co/C showed significantly improved ORR activity and durability compared to commercial Pt/C.

RARE METALS (2023)

Article Nanoscience & Nanotechnology

Ferromagnetic single-atom spin catalyst for boosting water splitting

Tao Sun et al.

Summary: Heterogeneous single-atom spin catalysts combined with magnetic fields have been designed for accelerated chemical reactions. A hydrothermal approach was used to synthesize single-atom spin catalysts with various substitutional magnetic atoms in a MoS2 host. The Ni-1/MoS2 catalyst with a distorted tetragonal structure showed global room-temperature ferromagnetism, and the addition of a mild magnetic field significantly enhanced the oxygen evolution reaction magnetocurrent, leading to excellent activity and stability in water splitting cells.

NATURE NANOTECHNOLOGY (2023)

Article Multidisciplinary Sciences

Chiral electrocatalysts eclipse water splitting metrics through spin control

Aravind Vadakkayil et al.

Summary: The authors demonstrate that imprinting chirality onto oxygen evolution reaction catalysts improves their performance beyond thermodynamic considerations. This is achieved by controlling the spin alignment of reaction intermediates during electrolysis, resulting in increased Faradaic efficiency, decreased reaction overpotential, and a change in the rate determining step. These findings suggest that chirality can be utilized in other reaction pathways and processes.

NATURE COMMUNICATIONS (2023)

Article Multidisciplinary Sciences

Navigating surface reconstruction of spinel oxides for electrochemical water oxidation

Yuanmiao Sun et al.

Summary: In this study, the relationship between surface reconstruction of spinel electrocatalysts and metal-oxygen covalency polarity was investigated. It was found that a stronger metal-oxygen covalency contributes to a more thorough surface reconstruction towards oxyhydroxides. The researchers also developed a criterion to evaluate the reconstruction degree and provide guidelines for cation selection in spinel pre-catalyst design.

NATURE COMMUNICATIONS (2023)

Article Multidisciplinary Sciences

The origin of magnetization-caused increment in water oxidation

Xiao Ren et al.

Summary: The magnetization of magnetic catalysts promotes their activity towards the oxygen evolution reaction (OER). However, the source of this enhancement has been unclear. It was thought that the spin polarization promoted OER occurs on the magnetic domains, but the enhancement should have occurred without magnetization. This study demonstrates that the enhancement actually comes from the disappeared domain wall upon magnetization. The domain wall reformats into a single domain, facilitating the OER and resulting in an overall increment on the electrode.

NATURE COMMUNICATIONS (2023)

Article Multidisciplinary Sciences

Embedding oxophilic rare-earth single atom in platinum nanoclusters for efficient hydrogen electro-oxidation

Xiaoning Wang et al.

Summary: Designing single-atom lanthanide-embedded ultrasmall Pt nanoclusters through vapor filling and spatially confined reduction/growth of metal species enhances the catalytic activity and CO tolerance for alkaline hydrogen oxidation. The oxophilic single-atom lanthanide species serve as Lewis acid sites, promoting the kinetics of hydrogen oxidation and CO oxidation. This work provides insights for designing metal nanocluster-based electrocatalysts for energy conversion.

NATURE COMMUNICATIONS (2023)

Article Chemistry, Physical

Atom-Precise Low-Nuclearity Cluster Catalysis: Opportunities and Challenges

Jian Gu et al.

Summary: Supported low-nuclearity cluster catalysts (LNCCs) with 2 < n < 10 metal atoms possess high atom efficiency and tunable structures. LNCCs provide multiple adsorption sites and atom-atom synergies, boosting catalytic reactivity. The synthesis and characterization of atom-precise LNCCs are crucial for optimizing catalytic performance and understanding the structure-activity relationship.

ACS CATALYSIS (2023)

Article Nanoscience & Nanotechnology

Inducing Fe 3d Electron Delocalization and Spin-State Transition of FeN4 Species Boosts Oxygen Reduction Reaction for Wearable Zinc-Air Battery

Shengmei Chen et al.

Summary: Transition metal-nitrogen-carbon materials, particularly Fe-N-C, have been found to be electroactive for accelerating the oxygen reduction reaction (ORR) kinetics. However, their performance is still unsatisfactory despite efforts to enhance their active species content, surface area, and electronic conductivity. This study introduces Ti3C2 MXene with sulfur terminals to regulate the electronic configuration of FeN4 species and significantly enhance the catalytic activity toward ORR. The results demonstrate that the regulation of the electronic structure of active species via coupling with their support can greatly enhance their catalytic activity.

NANO-MICRO LETTERS (2023)

Article Nanoscience & Nanotechnology

Engineering Spin States of Isolated Copper Species in a Metal-Organic Framework Improves Urea Electrosynthesis

Yuhang Gao et al.

Summary: The relationship between the electronic states of active centers and the catalytic activities is generally difficult to understand. In this study, two types of catalysts were designed for electrocatalytic urea in metal-organic frameworks: -CuIII- HHTP and -CuII- HHTP. The -CuIII-HHTP catalyst exhibited enhanced urea production rate and Faradaic efficiency compared to -CuII-HHTP. Isolated -CuIII species with S = 0 spin ground state were identified as the active center in -CuIII-HHTP, while -CuII with S = 1/2 were found in -CuII-HHTP. The different electronic states of the active centers led to variations in the migration pathways during the C-N coupling process.

NANO-MICRO LETTERS (2023)

Article Chemistry, Multidisciplinary

Self-Reconstructed Spinel Surface Structure Enabling the Long-Term Stable Hydrogen Evolution Reaction/Oxygen Evolution Reaction Efficiency of FeCoNiRu High-Entropy Alloyed Electrocatalyst

Kang Huang et al.

Summary: High catalytic efficiency and long-term stability are crucial for the performance of an electrocatalyst. This study focuses on the correlation between stability and catalytic efficiency in the FeCoNiRu high-entropy alloy (HEA). The HEA catalyst not only shows high efficiency in the hydrogen evolution reaction (HER) and oxygen evolution reaction (OER), but also maintains long-term stability. The outstanding stability is attributed to the spinel oxide surface layer formed during the evolution reactions, which preserves the active sites inherited from the HEA's intrinsic structure. This work provides valuable insights for the design and manufacturing of other metallic electrocatalysts and serves as a benchmark for evaluating their efficiency-stability relationship.

ADVANCED SCIENCE (2023)

Article Chemistry, Multidisciplinary

Prediction of Three-Metal Cluster Catalysts on Two-Dimensional W2N3 Support with Integrated Descriptors for Electrocatalytic Nitrogen Reduction

Siyu Chen et al.

Summary: In the study, it was found that introducing N vacancies and embedding three metal atom clusters in a two-dimensional metal nitride, W2N3, can enhance the electrocatalytic nitrogen reduction reaction (NRR). Among all the proposed catalysts, the VNiCu cluster showed the best catalytic activity. The Fe3 and Fe2Co clusters also exhibited excellent catalytic performance. Three groups of descriptors were identified to predict the materials' properties and were found to have linear relationships with the NRR limiting potential.

ACS NANO (2023)

Article Chemistry, Multidisciplinary

Anti-CO Poisoning FePtRh Nanoflowers with Rh-Rich Core and Fe-Rich Shell Boost Methanol Oxidation Electrocatalysis

Hu Liu et al.

Summary: In this study, surface segregated FePtRh nanoflowers were introduced to effectively eliminate the CO* poisoning during MOR electrocatalysis. The optimized Fe21Pt66Rh13/C showed high mass activity and specific activity. The electron transfer from Pt to Rh or Fe atoms, as well as the alloying of Rh atoms and surface-segregated structures, contributed to the enhanced anti-CO poisoning ability.

ADVANCED FUNCTIONAL MATERIALS (2023)

Review Chemistry, Multidisciplinary

Regulating Spin States in Oxygen Electrocatalysis

Zhirong Zhang et al.

Summary: Regulating the spin state of active centers in transition metal oxides is of great significance in energy conversion processes. It directly modulates the metal-ligand bond strength and intermediate adsorption behavior. This review clarifies the importance of regulating the spin state and discusses characterization technologies and strategies to regulate the spin state. Lastly, future research directions in this field are proposed.

ANGEWANDTE CHEMIE-INTERNATIONAL EDITION (2023)

Article Chemistry, Multidisciplinary

Boosting Benzene Oxidation with a Spin-State-Controlled Nuclearity Effect on Iron Sub-Nanocatalysts

Fanle Bu et al.

Summary: A profound understanding of the nature of nuclearity effects is crucial for designing high-performance sub-nanocatalysts with low nuclearity, yet it remains a longstanding challenge. By employing atomic layer deposition, we precisely synthesized Fe sub-nanocatalysts with adjustable nuclearity (Fe-1-Fe-4) immobilized on N,O-co-doped carbon nanorods (NOC). The nuclearity-dependent electronic properties and spin configuration of the Fe sub-nanocatalysts dominate the activation modes of H2O2 and the adsorption strength of active O species on Fe sites for C-H oxidation.

ANGEWANDTE CHEMIE-INTERNATIONAL EDITION (2023)

Article Chemistry, Physical

Spin-Selective Coupling in Mott-Schottky Er2O3-Co Boosts Electrocatalytic Oxygen Reduction

Xuan Wang et al.

Summary: A Mott-Schottky catalyst consisting of Er2O3-Co particles implanted into carbon nanofibers (Er2O3-Co/CNF) is designed to enhance alkaline oxygen reduction reaction (ORR) via spin-selective coupling. The optimized Er2O3-Co/CNF shows improved ORR performance compared to individual Co/CNF and Er2O3/CNF. The introduction of Er2O3 optimizes the electronic structure of Co through gradient orbital coupling, resulting in significantly enhanced ORR performance. This work provides new perspectives for the design of efficient ORR electrocatalysts by engineering spin-selective coupling induced by rare-earth oxides.

SMALL METHODS (2023)

Article Chemistry, Multidisciplinary

Optimization of oxygen evolution activity by tuning e*g band broadening in nickel oxyhydroxide

Haoyin Zhong et al.

Summary: This study finds that the synthetic origin of nickel oxyhydroxides plays a crucial role in their activity for the oxygen evolution reaction (OER). It is discovered that a stronger strain leads to a greater distortion of the NiO6 octahedron in NiOOH, resulting in significant broadening of the 3d electron states with e(g) symmetry. This band broadening facilitates electron transfer and enhances catalytic performance. By extending this concept to a NiFe oxyhydroxide system, the universality of this mechanism is demonstrated, providing insights for designing efficient OER electrocatalysts.

ENERGY & ENVIRONMENTAL SCIENCE (2023)

Article Chemistry, Multidisciplinary

Photothermal-Magnetic Synergistic Effects in an Electrocatalyst for Efficient Water Splitting under Optical-Magnetic Fields

Yibing Ma et al.

Summary: A strategy using the combined effect of optical and magnetic fields is proposed to enhance the OER activity of a catalyst, and the mechanism of catalytic activity enhancement is studied. Under the optical-magnetic field, Co3O4 reduces resistance by increasing catalyst temperature, while CoFe2O4 further reduces resistance via negative magnetoresistance effect and increases kinetics of the OER. Co3O4/CoFe2O4@NF requires an overpotential of 172.4 mV to reach a current density of 10 mA cm-2 under the optical-magnetic field, significantly higher than recently reported catalysts.

ADVANCED MATERIALS (2023)

Article Chemistry, Multidisciplinary

Spin-State Modulation on Metal-Organic Frameworks for Electrocatalytic Oxygen Evolution

Fan He et al.

Summary: A strategy involving strain engineering and coordination regulation is developed to enhance the hybridization of Ni 3d and O 2p orbitals, resulting in the synthesis of Ni-2,6-naphthalenedicarboxylic acid metal-organic framework nanosheets with low OER overpotential. Integration of an alkaline anion exchange membrane electrolyzer and Pt/C electrode allows for high current densities at low cell voltages. The nanosheets can also be loaded on a BiVO4 photoanode to enable highly active solar-driven water oxygen.

ADVANCED MATERIALS (2023)

Article Chemistry, Multidisciplinary

Spin-Polarization Strategy for Enhanced Acidic Oxygen Evolution Activity

Ling Li et al.

Summary: In this study, a spin-polarization-mediated strategy was reported to enhance the oxygen evolution reaction (OER) activity in acidic electrolyte by dilute manganese (Mn2+) doping in antiferromagnetic RuO2. The ferromagnetic coupling between Mn and Ru ions was confirmed, and the magnetic field enhanced OER activity of Mn-RuO2 nanoflakes was demonstrated. This work presents an important avenue for designing efficient acidic oxygen evolution catalysts through spin-engineering.

ADVANCED MATERIALS (2023)

Article Chemistry, Physical

Overall Water Splitting on The NiS/NiS2 Heterostructures Featuring Self-Equilibrium Orbital Occupancy

Wenli Xu et al.

Summary: Efficient electrochemical water splitting requires a bi-functional catalyst that can work for both hydrogen and oxygen evolution reactions (HER/OER). This study proposes a heterostructure catalyst, V-NiS/NiS2, which utilizes a self-equilibrium strategy to optimize the electron interactions between H/O-containing intermediates. The variable valences of Ni and V species enable controllable reorientation of electrons over the VSNi bond. This catalyst exhibits enhanced intrinsic activity and reaction kinetics for HER, OER, and overall water splitting. This strategy can be applied to other catalysts with variable metal valences and provides insights for electron allocation on heterostructure catalysts.

ADVANCED ENERGY MATERIALS (2023)

Article Engineering, Environmental

Unveiling Sabatier principle for electrocatalytic nitric oxide reduction on single cluster catalysts: A DFT and machine learning guideline

Lei Yang et al.

Summary: As a revolutionary chemical engineering, the electrocatalytic synthesis of ammonia (NH3) has become one alternative option for green hydrogen storage. However, the selection of element for single atom catalyst (SAC) is still perplexing despite the guidance of Sabatier principle. This study proposed a novel structure-activity correlation for nitric oxide reduction reaction (NORR) on single cluster catalyst (SCC), which not only enhances the activity as the cluster grows, but also breaks the consistent pattern of catalytic performance for designed SAC. By using DFT calculations, Co4@GaS was identified as a highly active catalyst with a rarely reported working potential of only-0.06 V. Moreover, a universal expression for handling free energy change was proposed by leveraging machine learning (ML) to analyze the activity descriptors obtained from elusive electronic characteristics. This work may open up new avenues for the rational and straightforward design of desirable catalysts and contribute to interdisciplinary development in chemistry.

CHEMICAL ENGINEERING JOURNAL (2023)

Article

Spin-Modulated Oxygen Electrocatalysis

Zhi Fang et al.

Precision Chemistry (2023)

Article Chemistry, Physical

Synergistic spin-valence catalysis mechanism in oxygen reduction reactions on Fe-N-C single-atom catalysts

Daoxiong Wu et al.

Summary: The spin and valence states of active sites play a crucial role in the activity of transition-metal-based catalysts. The synergistic spin-valence effect has been scarcely explored for modulating the spin and valence states to manipulate catalytic activity. This study used density functional theory calculations to elucidate the crucial role of spin and valence synergy in determining the oxygen reduction reaction (ORR) activity of Fe-N-C single-atom catalysts (SACs). Modulating the spin and valence states showed great potential for designing ORR catalysts with superior activity.

JOURNAL OF MATERIALS CHEMISTRY A (2023)

Article Chemistry, Physical

Electrochemical Reconstruction Engineering: Metal-Organic Gels as Pre-Catalysts for NiOOH/FeOOH Heterostructure to Boost Oxygen Evolution Reaction

Jia-Yang Luo et al.

Summary: Metal-organic gels (MOG) have potential applications in various fields, but their use in energy electrocatalysis is seldom explored. This study presents a reconstruction strategy to synthesize NiOOH/FeOOH heterostructure from MOG materials. The reconstructed NiOOH/FeOOH shows superior oxygen evolution reaction activity due to the synergistic effect and abundant interface between NiOOH and FeOOH. The activated Re-FeNi-MOG-4 electrocatalyst exhibits remarkable catalytic performance, outperforming most recently reported electrocatalysts.

SMALL STRUCTURES (2023)

Review Chemistry, Physical

Recent advances in catalyst design and activity enhancement induced by a magnetic field for electrocatalysis

Kun Wang et al.

Summary: In recent years, researchers have been studying the use of magnetic fields to enhance the performance of electrocatalysts. This paper provides a comprehensive review of the synthesis of catalysts with magnetic fields, including the synthesis of one-dimensional and three-dimensional catalysts, modulation of surface electronic structure through magneto-thermal effects, and regulation of electron spin states. The review also discusses the enhancement of catalytic efficiency through magneto-fluidic effects, magneto-thermal effects, Gibbs free energy, and electron spin states, with a focus on the magneto-thermal effect and electron spin state regulation mechanism.

JOURNAL OF MATERIALS CHEMISTRY A (2023)

Article Nanoscience & Nanotechnology

Insight into the Catalytic Activity of Amorphous Multimetallic Catalysts under a Magnetic Field toward the Oxygen Evolution Reaction

Shuangshuang Jiang et al.

Summary: The oxygen evolution reaction (OER) in electrochemical water splitting is hindered by slow kinetics, but recent studies have shown that multimetallic catalysts and spin polarization in ferromagnetic materials can improve water electrolysis. In this study, the OER performance of amorphous FeNiCo-based multimetallic catalysts with adjustable composition was investigated from the perspective of atomic structure. The results indicate that the local structure of the catalysts greatly affects their OER activities, with catalysts containing high amounts of low coordination number Fe clusters exhibiting higher activity. Additionally, the OER activity is significantly enhanced in the presence of a magnetic field, with strong ferromagnetic catalysts showing overpotential reduction exceeding 20 mV compared to weak ferromagnetic ones. The catalyst with the strongest ferromagnetism achieved a 65.2% increase in turnover frequency. This research provides an effective approach for improving the water oxidation performance of amorphous ferromagnetic catalysts.

ACS APPLIED MATERIALS & INTERFACES (2022)

Review Chemistry, Multidisciplinary

Toward Excellence of Electrocatalyst Design by Emerging Descriptor-Oriented Machine Learning

Jianwen Liu et al.

Summary: Machine learning (ML) is a powerful tool for accelerating electrocatalyst design by learning from historic data without explicit programming. This review provides a summary of the application of ML in electrocatalyst design and tracks its progress and potential changes in different electrocatalytic reactions. The selection tactics for descriptors are identified as a current challenge.

ADVANCED FUNCTIONAL MATERIALS (2022)

Review Chemistry, Multidisciplinary

Main Descriptors To Correlate Structures with the Performances of Electrocatalysts

Bin Wang et al.

Summary: Traditional trial and error approaches to search for high-activity and stable hydrogen/oxygen redox catalysts are typically tedious and inefficient. It is urgent to identify the most important parameters that determine catalytic performance and enable the development of catalyst design strategies. Reactivity descriptors in electrocatalysis have been developed to understand trends in electrocatalytic performance and predict promising catalytic materials for rational catalyst construction.

ANGEWANDTE CHEMIE-INTERNATIONAL EDITION (2022)

Article Engineering, Environmental

Charge regulation engineering to suppress Jahn-Teller distortion in low crystallinity In-doping MnCo2O4 for high activity pseudocapacitors and hydrogen evolution reaction

Bang Lan et al.

Summary: The novel strategy of charge regulation engineering reduces the Jahn-Teller distortion in transition metal oxides, leading to excellent performance in supercapacitors and electrocatalysts with enhanced electrochemical activity and cycle stability.

CHEMICAL ENGINEERING JOURNAL (2022)

Article Chemistry, Multidisciplinary

A durable half-metallic diatomic catalyst for efficient oxygen reduction

Hongguan Li et al.

Summary: By designing the catalyst Fe/Zn-N-C based on theoretical screening, a unique half-metallic electronic structure is achieved, resulting in enhanced O-2 capture and bonding. The catalyst exhibits impressive ORR activities and durability in both acidic and alkaline media.

ENERGY & ENVIRONMENTAL SCIENCE (2022)

Article Materials Science, Multidisciplinary

Morphology-controlled growth of large-area PtSe2 films for enhanced hydrogen evolution reaction

Rui Hao et al.

Summary: Transition metal dichalcogenides (TMDs) have shown great potential as electrocatalysts for the hydrogen evolution reaction (HER) due to their excellent conductivity and abundance of electrocatalytic active sites. By controlling the growth temperature and original thickness, PtSe2 nanowall films with excellent HER performance can be synthesized, demonstrating valuable experience for future industrial applications.

RARE METALS (2022)

Article Materials Science, Multidisciplinary

Regulating Ni site in NiV LDH for efficient electrocatalytic production of formate and hydrogen by glycerol electrolysis

Lin Dong et al.

Summary: This study reports the activation of Ni site in NiV layered double hydroxide by electrochemical and plasma regulations for boosting the activity of glycerol electrolysis. By using electrochemically regulated NiV LDH as the anode and plasma-regulated NiV LDH as the cathode, simultaneous production of formate and high-purity hydrogen can be achieved at a lower potential.

RARE METALS (2022)

Review Materials Science, Multidisciplinary

Generation and manipulation of skyrmions and other topological spin structures with rare metals

Chu Ye et al.

Summary: This paper classifies and summarizes the various roles of rare metals in nucleating and manipulating skyrmions and other topological states. The materials covered include different types of crystals, layered systems, frustrated materials, antiferromagnets, ferrimagnets, and 2D materials. The review also discusses the impact of rare-earth permanent magnets on the dynamic behaviors of skyrmions.

RARE METALS (2022)

Review Chemistry, Physical

Superiority of Dual-Atom Catalysts in Electrocatalysis: One Step Further Than Single-Atom Catalysts

Runze Li et al.

Summary: This review introduces the recent research progress on how to design new DACs to enhance the performance of electrocatalysis. The advantages of DACs in increasing metal loading, changing the adsorption condition of reactant molecules, reducing the reaction energy barrier, and altering the reaction path are discussed. The catalytic applications in different electrocatalytic reactions are also explored.

ADVANCED ENERGY MATERIALS (2022)

Review Chemistry, Physical

Surface engineering of anode materials for improving sodium-ion storage performance

Qingbing Xia et al.

Summary: Sodium-ion batteries are seen as a potential alternative to lithium-ion batteries, but face challenges related to electrode materials and surface properties. Recent research has focused on modifying and functionalizing the surface structure of NIB anode materials to improve charge transport kinetics, storage capacity, and cycling durability.

JOURNAL OF MATERIALS CHEMISTRY A (2022)

Article Nanoscience & Nanotechnology

Key Role of Lorentz Excitation in the Electromagnetic-Enhanced Hydrogen Evolution Reaction

Liang Cai et al.

Summary: Research has shown that alternating magnetic fields (AMFs) are a promising strategy to promote electrochemical catalytic reactions. In this study, the influence of AMFs on the hydrogen evolution reaction (HER) was systematically investigated using a Fe-Co-Ni-P-B magnetic catalyst. The results showed that AMFs significantly increased the catalytic efficiency of HER, attributed to the enhancement of charge-transfer efficiency through Lorentz interaction.

ACS APPLIED MATERIALS & INTERFACES (2022)

Article Chemistry, Multidisciplinary

Short-Range Diffusion Enables General Synthesis of Medium-Entropy Alloy Aerogels

Guanghui Han et al.

Summary: A general strategy for preparing ultralight 3D porous medium-entropy alloy aerogels (MEAAs) has been reported, which overcomes the immiscible behavior of different metals to achieve single-phase MEAAs. The as-synthesized MEAAs show high catalytic activity and selectivity in methanol oxidation reactions. Additionally, a MEAAs-based water electrolyzer demonstrates low cell voltage for value-added formate production.

ADVANCED MATERIALS (2022)

Article Chemistry, Multidisciplinary

Regulating the Spin State of FeIII Enhances the Magnetic Effect of the Molecular Catalysis Mechanism

Zemin Sun et al.

Summary: This study presents a novel magnetic site spin-splitting strategy to optimize the electronic structure and spin states of Fe-III sites using the Jahn-Teller effect of Cu2+ for enhanced oxygen evolution reaction (OER) activity. The Cu-1-Ni6Fe2-LDH catalyst exhibits excellent OER performance under magnetic field assistance, providing new principles for high-performance catalyst development and understanding of spintronic catalytic mechanisms.

JOURNAL OF THE AMERICAN CHEMICAL SOCIETY (2022)

Article Chemistry, Multidisciplinary

Synergetic Charge Transfer and Spin Selection in CO Oxidation atNeighboring Magnetic Single-Atom Catalyst Sites

Liying Zhang et al.

Summary: This study reveals a mechanism of concerted charge-spin catalysis in a two-dimensional ferromagnetic metal organic framework, where the hosting Mn atom and its nearest neighboring Mn atoms work together to activate O2, resulting in an efficient catalyst.

NANO LETTERS (2022)

Article Materials Science, Multidisciplinary

Synergistic electronic interaction between ruthenium and nickel-iron hydroxide for enhanced oxygen evolution reaction

Hao Cui et al.

Summary: A high-efficiency electrocatalyst of ruthenium-decorated nickel-iron hydroxide (10Ru-NiFe LDH) was synthesized for oxygen evolution reaction (OER). The 10Ru-NiFe LDH showed fast OER kinetics with a small overpotential and high stability, attributed to the increased active sites and synergistic electronic interactions.

RARE METALS (2022)

Article Materials Science, Multidisciplinary

Facile synthesis of PdCu nanocluster-assembled granular films as highly efficient electrocatalysts for formic acid oxidation

Qing-Wei Ding et al.

Summary: This study reports a facile method to fabricate PdCu nanoclusters catalysts, which can improve the catalytic durability and activity of direct formic acid fuel cells. The Pd85Cu15 NCs catalyst exhibits the best performance.

RARE METALS (2022)

Review Chemistry, Multidisciplinary

Rational Design of Better Hydrogen Evolution Electrocatalysts for Water Splitting: A Review

Fan Liu et al.

Summary: This review introduces the design principles of hydrogen evolution reaction (HER) electrocatalysts, including thermodynamics, kinetics, and structural descriptors. It also discusses the reasonable design, preparation, mechanistic understanding, and performance enhancement of electrocatalysts. Furthermore, it briefly discusses recent advancements in the electrocatalytic water splitting technology and proposes the challenges and perspectives in developing highly efficient hydrogen evolution electrocatalysts.

ADVANCED SCIENCE (2022)

Article Chemistry, Physical

Water oxidation on CrMnFeCoNi high entropy alloy: Improvement through rejuvenation and spin polarization

Jiawei Chen et al.

Summary: In this study, CrMnFeCoNi high entropy alloy (HEA) films were deposited on carbon cloth and Ni foam using pulsed laser deposition. It was found that electrochemical cyclic voltammetry can induce surface reconstruction of the HEA films to form highly active (oxy)hydroxide. The activated HEA/CC and HEA/NF electrodes exhibited enhanced electrocatalytic activity and stability. The magnetic properties of the HEA films were also utilized to improve the activity of HEA/CC.

JOURNAL OF ALLOYS AND COMPOUNDS (2022)

Article Chemistry, Multidisciplinary

Alternating Magnetic Field Induced Magnetic Heating in Ferromagnetic Cobalt Single-Atom Catalysts for Efficient Oxygen Evolution Reaction

Xunguo Gong et al.

Summary: This study demonstrates a method to enhance the activity of magnetic single-atom catalysts (SACs) for oxygen evolution reaction (OER) using alternating magnetic field (AMF). By anchoring cobalt single atoms on a MoS2 support, Co@MoS2 composite materials with in-plane ferromagnetic properties are obtained, allowing parallel spin arrangements of oxygen atoms under a magnetic field. Heating the active sites in Co@MoS2 using AMF further improves the OER efficiency.

NANO LETTERS (2022)

Review Chemistry, Multidisciplinary

Machine Learning for Electrocatalyst and Photocatalyst Design and Discovery

Haoxin Mai et al.

Summary: This article provides a comprehensive introduction and critical review of machine learning techniques used in electrocatalysis and photocatalysis research. It discusses the sources of electro/photocatalyst data, current approaches to representing these materials mathematically, and the most commonly used machine learning methods. The article also evaluates the quality and utility of electro/photocatalyst models and provides illustrations of how machine learning models are applied in novel electro/photocatalyst discovery and to elucidate reaction mechanisms. It serves as a guide for materials scientists in selecting machine learning methods for electrocatalysis and photocatalysis research.

CHEMICAL REVIEWS (2022)

Article Multidisciplinary Sciences

Enhancement of electrocatalytic oxygen evolution by chiral molecular functionalization of hybrid 2D electrodes

Yunchang Liang et al.

Summary: This study utilizes chiral molecules to control spin polarization in oxygen evolution electrocatalysts, resulting in increased catalytic activity. Functionalization with chiral molecules allows for surpassing the limits of catalytic activity, providing new insights for optimizing catalyst performance.

NATURE COMMUNICATIONS (2022)

Article Materials Science, Multidisciplinary

Tailoring the spin state of active sites in amorphous transition metal sulfides to promote oxygen electrocatalysis

Xiaopeng Li et al.

Summary: In this study, a series of heteroatom-doped amorphous transition metal sulfides were synthesized using a one-step hydrothermal process, and the spin state of Co2+ was successfully modulated to optimize the kinetics of oxygen reduction reaction. The fabricated ZABs showed good cycle stability and high energy density, providing new insights into material engineering for oxygen electrocatalysis.

SCIENCE CHINA-MATERIALS (2022)

Review Chemistry, Physical

Rare-Earth Single-Atom Catalysts: A New Frontier in Photo/Electrocatalysis

Xuan Wang et al.

Summary: Research attention has shifted from transition metal and precious metal based single-atom catalysts (SACs) to rare-earth (RE) based SACs, which exhibit unique electronic structure and catalytic performance in photo/electrocatalysis. However, a systematic review on the role of RE active sites, catalytic mechanisms, and synthetic methods for RE SACs is still lacking. Therefore, this review summarizes and discusses the latest developments in RE SACs for photo/electrocatalysis, covering theoretical advantages, reaction progress, catalytic mechanisms, and synthetic strategies.

SMALL METHODS (2022)

Article Nanoscience & Nanotechnology

Effective Formation of a Mn-ZIF-67 Nanofibrous Network via Electrospinning: An Active Electrocatalyst for OER in Alkaline Medium

Sam Sankar Selvasundarasekar et al.

Summary: In this study, a bimetallic ZIF system was constructed and nanofibers were obtained using electrospinning technique. The active center for electrocatalytic oxygen evolution reaction was identified as Mn3+ in the Mn-incorporated ZIF-67 nanofibers, with Co2+ ions suppressing the Jahn-Teller distortion. The obtained nanofibers showed promising electrocatalytic performance with low overpotential and high current density.

ACS APPLIED MATERIALS & INTERFACES (2022)

Review Chemistry, Multidisciplinary

Spin-Control in Electrocatalysis for Clean Energy

Yunchang Liang et al.

Summary: This review summarizes the latest studies on using molecule-induced electron spin polarization to enhance catalytic performance. It focuses on reactions essential to the hydrogen economy and discusses the feasibility and limitations of this effect. The research finds that controlling electron spin polarization at the catalyst's surface can significantly improve reaction activity and product selectivity.

ISRAEL JOURNAL OF CHEMISTRY (2022)

Review Chemistry, Physical

Cation Defect Engineering of Transition Metal Electrocatalysts for Oxygen Evolution Reaction

Dafeng Yan et al.

Summary: This review focuses on cation vacancy defects in transition metal-based electrocatalysts and summarizes the latest progress in cation vacancy defect engineering for the electrocatalytic oxygen evolution reaction (OER). The effects of cation vacancy defects on OER are discussed, including improving conductivity, optimizing the adsorption of intermediates, guiding surface reconstruction, and enhancing long-term stability. Methods to construct cation vacancy defects and characterize them on different electrocatalysts are introduced. This review also proposes the remaining challenges and future prospects of cation vacancy defect engineering for promoting OER performance.

ADVANCED ENERGY MATERIALS (2022)

Article Chemistry, Physical

Electron spin polarization-mediated charge separation in Pd/CoP@CoNiP superstructures toward optimized photocatalytic performance

Bin Fang et al.

Summary: Electron spin polarization plays a vital role in photocatalysis, but it is rarely taken into consideration. In this study, a double-layer hollow yolk-shell superstructure photocatalyst was prepared and it successfully enhanced the photocatalytic hydrogen evolution efficiency. The optimized photocatalytic performance was attributed to the enhanced electron spin polarization and the formation of Z-scheme heterojuctions.

NANO ENERGY (2022)

Review Chemistry, Applied

Theory-guided electrocatalyst engineering: From mechanism analysis to structural design

Mingcheng Zhang et al.

Summary: This article summarizes the fundamental aspects of catalytic theories commonly used in the design of electrocatalysts, and introduces the basic mechanisms and challenges of the hydrogen evolution reaction, the oxygen evolution reaction, the oxygen reduction reaction, the CO2 reduction reaction, and the nitrogen reduction reaction, as well as the role of theory in addressing these challenges.

CHINESE JOURNAL OF CATALYSIS (2022)

Article Chemistry, Multidisciplinary

Hollow structures with rare earths: Synthesis and electrocatalytic applications

Linchuan Guo et al.

Summary: Electrochemical conversion is an eco-friendly and controllable method for sustainable energy use. The combination of hollow structures and rare earth materials enhances the efficiency and selectivity of electrocatalysts.

ENERGYCHEM (2022)

Article Chemistry, Multidisciplinary

Direct Magnetic Reinforcement of Electrocatalytic ORR/OER with Electromagnetic Induction of Magnetic Catalysts

Jianhua Yan et al.

Summary: The carbon-based magnetic catalytic nanocages can enhance oxygen catalytic activity under an external magnetic field, improving catalytic efficiency significantly. Compared to commercial catalysts, the magnetic catalyzed Zn-air batteries show higher capacities and longer durability, pointing towards a promising strategy of utilizing electromagnetic induction to boost oxygen catalysis.

ADVANCED MATERIALS (2021)

Article Chemistry, Multidisciplinary

SmCo5 with a Reconstructed Oxyhydroxide Surface for Spin-Selective Water Oxidation at Elevated Temperature

Riccardo Ruixi Chen et al.

Summary: Surface-reconstructed SmCo5/CoOxHy catalysts with polarized spins at the FM/oxyhydroxide interface exhibit excellent OER activity, which can be further aligned through a magnetization process. The enhanced OER performance of magnetized SmCo5/CoOxHy catalysts can be maintained up to 60 degrees C when operated at elevated temperatures to simulate real-life conditions of water electrolyzers.

ANGEWANDTE CHEMIE-INTERNATIONAL EDITION (2021)

Article Physics, Applied

Constructing spin pathways in LaCoO3 by Mn substitution to promote oxygen evolution reaction

Yuan Cao et al.

Summary: In this study, the introduction of Mn substitution to LaCoO3 resulted in lattice expansion and reduced crystalline field splitting energy, leading to an increase in effective magnetic moment which triggered the transfer of Co3+ from low to higher spin states. This enhanced the hybridization of Co e(g) and O 2p states across the Fermi level, transitioning LaCoO3 from a semiconductor to a half-metal with 25% Mn substitution, benefiting spin-oriented electronic transport and promoting the OER. This method opens up new possibilities for constructing spin pathways in catalysts.

APPLIED PHYSICS LETTERS (2021)

Article Chemistry, Physical

Structural engineering of Fe-doped Ni2P nanosheets arrays for enhancing bifunctional electrocatalysis towards overall water splitting

Menggang Li et al.

Summary: By developing a structural engineering strategy for Fe-doped Ni2P nanosheets arrays, enhanced electrocatalytic performance was achieved for both oxygen evolution and hydrogen evolution reactions. The increased electrochemical active sites and strong electronic effect derived from Fe-doping contribute to the superior overall water splitting performance.

APPLIED SURFACE SCIENCE (2021)

Review Chemistry, Multidisciplinary

Magnetic Nanoparticles: Synthesis, Anisotropy, and Applications

Zhenhui Ma et al.

Summary: The review discusses the effects of anisotropy on magnetic nanoparticles and their potential applications in various fields.

CHEMICAL REVIEWS (2021)

Article Chemistry, Multidisciplinary

Electronic Spin Moment As a Catalytic Descriptor for Fe Single-Atom Catalysts Supported on C2N

Wenhui Zhong et al.

Summary: The study reveals that the catalytic activity of Fe single-atom supported on C2N for oxygen reduction reaction is influenced by the spin states. Manipulation of the spin states can effectively tune the catalytic activity, with the potential to design transition metal single-atom catalysts with improved performance.

JOURNAL OF THE AMERICAN CHEMICAL SOCIETY (2021)

Article Chemistry, Multidisciplinary

Tuning the Spin Density of Cobalt Single-Atom Catalysts for Efficient Oxygen Evolution

Zejun Li et al.

Summary: In this study, ferromagnetic single Co atom catalysts were synthesized on TaS2 monolayers to explore the spin-activity correlation for the oxygen evolution reaction (OER). Experimental and theoretical results showed that optimizing the spin density by tuning the Co loading at neighboring sites can improve the OER performance.

ACS NANO (2021)

Review Materials Science, Multidisciplinary

A review of non-noble metal-based electrocatalysts for CO2 electroreduction

Jia-Jun Wang et al.

Summary: Excessive CO2 emissions have caused severe environmental issues, leading to the exploration of non-noble metal-based CO2RR catalysts as a critical solution. Researchers summarized the recent advances and classification of such catalysts, discussing their preparation strategies and CO2RR mechanisms in detail.

RARE METALS (2021)

Article Materials Science, Multidisciplinary

Well-dispersed NiCoS2 nanoparticles/rGO composite with a large specific surface area as an oxygen evolution reaction electrocatalyst

Duan Wang et al.

Summary: A NiCoS2/rGO electrocatalyst with well-dispersed nanoparticles, dual-sided graphene support, and a large specific surface area was successfully prepared. It showed superior catalytic performance in the oxygen evolution reaction, outperforming NiS2/rGO and CoS2/rGO counterparts. The enhanced electrocatalytic performances were supported by experimental results on active sites and conductivity.

RARE METALS (2021)

Article Multidisciplinary Sciences

Spin-polarized oxygen evolution reaction under magnetic field

Xiao Ren et al.

Summary: The authors demonstrate the use of a ferromagnetic catalyst to facilitate spin polarization in the water oxidation reaction, revealing a ferromagnetic-exchange-like behavior between the catalyst and the adsorbed oxygen species. By utilizing ferromagnetic catalysts as spin polarizers under a constant magnetic field, the OER can be enhanced through coherent spin exchange at the first electron transfer step. This study provides insights into spin-polarized kinetics of the oxygen evolution reaction, offering references for the understanding and design of spin-dependent catalysts.

NATURE COMMUNICATIONS (2021)

Article Multidisciplinary Sciences

Regulating Fe-spin state by atomically dispersed Mn-N in Fe-N-C catalysts with high oxygen reduction activity

Gege Yang et al.

Summary: The research uncovered the mechanism of the oxygen reduction reaction on dual-metal atomically dispersed Fe,Mn/N-C catalyst, demonstrating its excellent performance and durability in fuel cells and metal-air batteries.

NATURE COMMUNICATIONS (2021)

Article Chemistry, Physical

High-Index Faceted PdPtCu Ultrathin Nanorings Enable Highly Active and Stable Oxygen Reduction Electrocatalysis

Menggang Li et al.

Summary: This study presents PdPtCu ultrathin nanorings with abundant high-index facets, breaking the activity ceiling of conventional catalysts and achieving an ultrahigh electrochemical active surface area. The optimized Pd39Pt33Cu28/C catalyst shows enhanced ORR activity and superior durability, with exciting prospects for high-performance ORR catalysts in fuel cells.

SMALL METHODS (2021)

Article Chemistry, Multidisciplinary

Ferromagnetic-Antiferromagnetic Coupling Core-Shell Nanoparticles with Spin Conservation for Water Oxidation

Jingjie Ge et al.

Summary: The rational design of FM-AFM core-shell catalysts enhances electron transport efficiency and improves OER activity, with critical factors including shell thickness and magnetic domain structure.

ADVANCED MATERIALS (2021)

Article Chemistry, Multidisciplinary

Sub-Monolayer YOx/MoOx on Ultrathin Pt Nanowires Boosts Alcohol Oxidation Electrocatalysis

Menggang Li et al.

Summary: This study demonstrates a new strategy to fabricate platinum nanowires that effectively eliminate CO poisoning, leading to enhanced methanol oxidation electrocatalysis. The optimized nanowires show high specific and mass activity, as well as improved stability, and also exhibit superior activities towards the electro-oxidation of other alcohols.

ADVANCED MATERIALS (2021)

Article Chemistry, Multidisciplinary

Unraveling the Origin of Sulfur-Doped Fe-N-C Single-Atom Catalyst for Enhanced Oxygen Reduction Activity: Effect of Iron Spin-State Tuning

Zhaoyang Chen et al.

Summary: In this study, sulfur-doped Fe-1-NC catalyst was found to exhibit superior activity towards ORR compared to traditional Fe-NC materials. The incorporation of sulfur in the second coordination sphere of Fe-1-NC was shown to induce a transition of spin polarization configuration, with the low spin single-Fe3+-atom identified as the active site for ORR through operando Fe-57 Mossbauer spectra. Additionally, DFT calculations revealed that the lower spin state of the Fe center after sulfur doping promotes the OH* desorption process.

ANGEWANDTE CHEMIE-INTERNATIONAL EDITION (2021)

Article Multidisciplinary Sciences

Spin-state reconfiguration induced by alternating magnetic field for efficient oxygen evolution reaction

Gang Zhou et al.

Summary: The study focuses on rearranging spins in metal-organic frameworks to achieve higher mass activities for electrocatalysts through magnetic stimulation, providing a new approach to spin electrocatalysis design.

NATURE COMMUNICATIONS (2021)

Article Multidisciplinary Sciences

Spin pinning effect to reconstructed oxyhydroxide layer on ferromagnetic oxides for enhanced water oxidation

Tianze Wu et al.

Summary: This study introduces a strategy of spin pinning to increase the spin alignment in paramagnetic oxyhydroxides, aiming to enhance the OER activity, and confirms the spin effect in the rate-limiting OER step.

NATURE COMMUNICATIONS (2021)

Article Chemistry, Physical

Defect Engineering of Sb2Te3 through Different Doses of Ion Irradiation to Boost Hydrogen Evolution Reaction Performance

Qingtao Wang et al.

Summary: By regulating the defects of Sb2Te3 through ion irradiation technology, the HER performance in acidic solution can be significantly improved, increasing active sites and conductivity, while accelerating hydrogen bubble desorption to reduce material damage.

ACS APPLIED ENERGY MATERIALS (2021)

Review Nanoscience & Nanotechnology

Structural Regulation of Pd-Based Nanoalloys for Advanced Electrocatalysis

Menggang Li et al.

Summary: Palladium (Pd)-based materials have attracted attention as potential catalysts to replace platinum (Pt) catalysts, but the need for high activity and stability has made development challenging. Alloying and structure-controlled strategies have addressed this challenge by optimizing adsorption/desorption behaviors towards reaction intermediates. Tuning the dimensionalities of Pd-based nanoalloys has further increased electrocatalytic activity.

SMALL SCIENCE (2021)

Review Chemistry, Multidisciplinary

Applying Machine Learning to Rechargeable Batteries: From the Microscale to the Macroscale

Xiang Chen et al.

Summary: This paper summarizes the application of machine learning in rechargeable batteries, including exploring new functional theory calculations and molecular dynamics simulations, as well as mining valuable information from experimental and theoretical datasets. This has led to the establishment of a structure-function correlation for predicting ionic conductivity and battery lifespan, along with advantages in strategy optimization.

ANGEWANDTE CHEMIE-INTERNATIONAL EDITION (2021)

Article Chemistry, Multidisciplinary

Industrially promising NiCoP nanorod arrays tailored with trace W and Mo atoms for boosting large-current-density overall water splitting

Xin Guo et al.

Summary: By doping trace amounts of W and Mo atoms, a nanoarray catalyst was constructed, showing low overpotential for both hydrogen evolution and oxygen evolution reactions at high current densities. This co-doping strategy led to enhanced catalytic activity and long-term stability in an overall water splitting device, outperforming most state-of-the-art bifunctional electrocatalysts.

NANOSCALE (2021)

Review Chemistry, Multidisciplinary

Recent advances in activating surface reconstruction for the high-efficiency oxygen evolution reaction

Likun Gao et al.

Summary: Recent advancements in the development of cost-effective and high-efficiency transition metal-based electrocatalysts have led to a better understanding of the dynamic reconstruction of surface structures during electrocatalytic water oxidation, especially the anodic oxygen evolution reaction (OER). Through operando and in situ techniques, it has been found that electrocatalysts undergo surface reconstruction to form actual active species during OER in alkaline solution. By exploring issues such as initiators for surface reconstruction and establishing relationships between structure, composition, and electrocatalytic activity, progress has been made in the rational manipulation of in situ catalyst surface reconstruction for the development of high-efficiency electrocatalysts.

CHEMICAL SOCIETY REVIEWS (2021)

Review Materials Science, Multidisciplinary

Regulation of Perovskite Surface Stability on the Electrocatalysis of Oxygen Evolution Reaction

Jia-Wei Zhao et al.

Summary: Perovskites have attracted attention for their high OER performance and low cost in electrocatalytic water splitting. Surface stability of perovskite is closely related to its chemical component and can be improved through surface engineering, which in turn enhances OER performance. A new descriptor (stability level) is proposed to optimize OER catalytic performance by tuning the surface structure of perovskite.

ACS MATERIALS LETTERS (2021)

Review Electrochemistry

Understanding the Mechanism of the Oxygen Evolution Reaction with Consideration of Spin

Xiaoning Li et al.

Summary: This article discusses the electron behavior during the oxygen evolution reaction (OER) by considering the spin attribute, highlighting the high requirements on the spin structure of electrocatalysts. Understanding the coupling between spin, charge, orbital, and lattice parameters is necessary for optimizing geometric and electronic structures in transition metal systems. It also explores the potential dependency of OER efficiency on the electrocatalyst spin configuration and the relevance of factors like crystal field, coordination, oxidation, bonding, electron number, conductivity, and magnetism with spin.

ELECTROCHEMICAL ENERGY REVIEWS (2021)

Review Chemistry, Multidisciplinary

Reconstructed Water Oxidation Electrocatalysts: The Impact of Surface Dynamics on Intrinsic Activities

N. Clament Sagaya Selvam et al.

Summary: This review discusses recent progress on reconstructed OER electrocatalysts and future opportunities. Surface reconstruction engineering is highlighted as a tool to significantly improve catalytic performance. Emphasis is placed on understanding the correlation between surface dynamics and activities, with a prospect for clean future energy communities.

ADVANCED FUNCTIONAL MATERIALS (2021)

Article Materials Science, Multidisciplinary

Transition metal oxides for water oxidation: All about oxyhydroxides?

Zhichuan J. Xu

SCIENCE CHINA-MATERIALS (2020)

Article Chemistry, Multidisciplinary

Antiferromagnetic Inverse Spinel Oxide LiCoVO4 with Spin-Polarized Channels for Water Oxidation

Riccardo Ruixi Chen et al.

ADVANCED MATERIALS (2020)

Article Chemistry, Multidisciplinary

Regulating the Spin State of FeIII by Atomically Anchoring on Ultrathin Titanium Dioxide for Efficient Oxygen Evolution Electrocatalysis

Guoqiang Shen et al.

ANGEWANDTE CHEMIE-INTERNATIONAL EDITION (2020)

Article Multidisciplinary Sciences

Direct evidence of boosted oxygen evolution over perovskite by enhanced lattice oxygen participation

Yangli Pan et al.

NATURE COMMUNICATIONS (2020)

Article Multidisciplinary Sciences

Approaching the activity limit of CoSe2 for oxygen evolution via Fe doping and Co vacancy

Yuhai Dou et al.

NATURE COMMUNICATIONS (2020)

Article Chemistry, Multidisciplinary

Spin-Related Electron Transfer and Orbital Interactions in Oxygen Electrocatalysis

Yuanmiao Sun et al.

ADVANCED MATERIALS (2020)

Review Chemistry, Multidisciplinary

Single-Atom Alloy Catalysis

Ryan T. Hannagan et al.

CHEMICAL REVIEWS (2020)

Article Chemistry, Multidisciplinary

Machine Learning Magnetic Parameters from Spin Configurations

Dingchen Wang et al.

ADVANCED SCIENCE (2020)

Review Chemistry, Multidisciplinary

Chiral Induced Spin Selectivity Gives a New Twist on Spin-Control in Chemistry

Ron Naaman et al.

ACCOUNTS OF CHEMICAL RESEARCH (2020)

Article Chemistry, Multidisciplinary

Regulating Photocatalysis by Spin-State Manipulation of Cobalt in Covalent Organic Frameworks

Yun-Nan Gong et al.

JOURNAL OF THE AMERICAN CHEMICAL SOCIETY (2020)

Article Chemistry, Physical

Surface Charge and Electrostatic Spin Crossover Effects in CoN4 Electrocatalysts

Zhiyao Duan et al.

ACS CATALYSIS (2020)

Review Chemistry, Multidisciplinary

Chiral molecules and the electron spin

Ron Naaman et al.

NATURE REVIEWS CHEMISTRY (2019)

Article Energy & Fuels

Direct magnetic enhancement of electrocatalytic water oxidation in alkaline media

Felipe A. Garces-Pineda et al.

NATURE ENERGY (2019)

Article Chemistry, Multidisciplinary

Thermally Driven Structure and Performance Evolution of Atomically Dispersed FeN4 Sites for Oxygen Reduction

Jiazhan Li et al.

ANGEWANDTE CHEMIE-INTERNATIONAL EDITION (2019)

Article Chemistry, Physical

Strategies to break linear scaling relationships

Javier Perez-Ramirez et al.

NATURE CATALYSIS (2019)

Review Chemistry, Multidisciplinary

Super Atomic Clusters: Design Rules and Potential for Building Blocks of Materials

Puru Jena et al.

CHEMICAL REVIEWS (2018)

Review Chemistry, Multidisciplinary

Metal Catalysts for Heterogeneous Catalysis: From Single Atoms to Nanoclusters and Nanoparticles

Lichen Liu et al.

CHEMICAL REVIEWS (2018)

Article Chemistry, Physical

Principles determining the activity of magnetic oxides for electron transfer reactions

Jose Gracia et al.

JOURNAL OF CATALYSIS (2018)

Article Multidisciplinary Sciences

Heterogeneous Fe-3 single-cluster catalyst for ammonia synthesis via an associative mechanism

Jin-Cheng Liu et al.

NATURE COMMUNICATIONS (2018)

Article Energy & Fuels

Improved water electrolysis using magnetic heating of FeC-Ni core-shell nanoparticles

Christiane Niether et al.

NATURE ENERGY (2018)

Article Chemistry, Physical

Enhanced Electrochemical Water Splitting with Chiral Molecule-Coated Fe3O4 Nanoparticles

Wenyan Zhang et al.

ACS ENERGY LETTERS (2018)

Article Chemistry, Multidisciplinary

Energy Level Engineering of MoS2 by Transition-Metal Doping for Accelerating Hydrogen Evolution Reaction

Yi Shi et al.

JOURNAL OF THE AMERICAN CHEMICAL SOCIETY (2017)

Article Chemistry, Multidisciplinary

Activating lattice oxygen redox reactions in metal oxides to catalyse oxygen evolution

Alexis Grimaud et al.

NATURE CHEMISTRY (2017)

Article Chemistry, Physical

Spin dependent interactions catalyse the oxygen electrochemistry

J. Gracia

PHYSICAL CHEMISTRY CHEMICAL PHYSICS (2017)

Review Multidisciplinary Sciences

Perovskites in catalysis and electrocatalysis

Jonathan Hwang et al.

SCIENCE (2017)

Article Chemistry, Physical

Effect of Magnetic Field on HER of Water Electrolysis on Ni-W Alloy

Liju Elias et al.

ELECTROCATALYSIS (2017)

Article Chemistry, Multidisciplinary

Acid-etched layered double hydroxides with rich defects for enhancing the oxygen evolution reaction

Peng Zhou et al.

CHEMICAL COMMUNICATIONS (2017)

Article Chemistry, Multidisciplinary

Atomic-Scale CoOx Species in Metal-Organic Frameworks for Oxygen Evolution Reaction

Shuo Dou et al.

ADVANCED FUNCTIONAL MATERIALS (2017)

Article Chemistry, Physical

Effect of Spin Multiplicity in O2 Adsorption and Dissociation on Small Bimetallic AuAg Clusters

Raul Garcia-Cruz et al.

JOURNAL OF PHYSICAL CHEMISTRY A (2017)

Article Chemistry, Multidisciplinary

Cations in Octahedral Sites: A Descriptor for Oxygen Electrocatalysis on Transition-Metal Spinels

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