☆ 4.6 Review

Molecular design and coordination regulation of atomically dispersed bi-functional catalysts for oxygen electrocatalysis

JOURNAL OF MATERIALS CHEMISTRY A (2023)

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Kinetically favorable edge-type iron-cobalt atomic pair sites synthesized via a silica xerogel approach for efficient bifunctional oxygen electrocatalysis

Maosong Liu et al.

Summary: This study presents an in situ silica xerogel tactic to prepare a bifunctional Fe,Co-NC SAC with unique porosity and abundant FeCoN6 model sites for efficient ORR/OER catalysis. Electrochemical testing reveals that this catalyst exhibits higher catalytic activity than the conventional benchmark, and density functional theory calculations provide insights into its excellent activity.

JOURNAL OF MATERIALS CHEMISTRY A (2023)

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Facile synthesis of Fe3C-dominated Fe/Fe3C/FeN0.0324 multiphase nanocrystals embedded in nitrogen-modified graphitized carbon as efficient pH-universal catalyst for oxygen reduction reaction and zinc-air battery

Guang Li et al.

Summary: Iron-based nitrogen-doped carbonaceous materials are a promising alternative for oxygen reduction reaction electrocatalysts due to their highly efficient active sites. The synthesis of iron nanocrystals embedded in porous nitrogen-doped graphitized carbon shows excellent electrocatalytic activity towards ORR.

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Article Chemistry, Multidisciplinary

Ru Coordinated ZnIn2S4 Triggers Local Lattice-Strain Engineering to Endow High-Efficiency Electrocatalyst for Advanced Zn-Air Batteries

Zhiqian Hou et al.

Summary: By regulating the partial coordination environment mutation of catalytic sites, the intrinsic activity of the catalyst can be activated and electron transfer can be accelerated, achieving efficient oxygen reduction reaction. This research provides a promising avenue for constructing lattice-strain engineering.

ADVANCED FUNCTIONAL MATERIALS (2022)

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Article Chemistry, Multidisciplinary

Atomic Fe-N4/C in Flexible Carbon Fiber Membrane as Binder-Free Air Cathode for Zn-Air Batteries with Stable Cycling over 1000 h

Leping Yang et al.

Summary: In this study, a Fe-N-4/C catalyst immobilized on a carbon fiber membrane was synthesized, showing excellent catalytic activity for oxygen reduction and evolution reactions through sulfur doping to modulate atomic configurations. The catalyst demonstrated superior electrochemical performance and cycling stability, outperforming commercial Pt/C and most reported M-N-x/C catalysts. The findings offer promising prospects for flexible electronic device applications.

ADVANCED MATERIALS (2022)

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Article Chemistry, Physical

Highly active atomically dispersed platinum-based electrocatalyst for hydrogen evolution reaction achieved by defect anchoring strategy

Yawen Chen et al.

Summary: By preparing Pt1/Co1NC single-atom catalyst on a support rich in defects, high HER activity and stability were achieved. Nitrogen/carbon defects were found to be crucial for anchoring and forming Pt active sites.

APPLIED CATALYSIS B-ENVIRONMENTAL (2022)

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Article Chemistry, Physical

Design of Co-NC as efficient electrocatalyst: The unique structure and active site for remarkable durability of proton exchange membrane fuel cells

Kyungmin Im et al.

Summary: In this study, a unique Co-N-C catalyst with a developed pore structure was successfully synthesized using a melamine-encapsulated Co-ZnO-C composite. The catalyst showed superior stability and 4-electron oxygen reduction reaction (ORR) activity, due to the closed interaction between the Co-N4 moiety and organic adducts. Experimental results demonstrated that the Co-N-C catalyst exhibited remarkable durability with only 6.7% performance degradation after 100 hours, and high stability in real device operation.

APPLIED CATALYSIS B-ENVIRONMENTAL (2022)

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Central metal and ligand effects on oxygen electrocatalysis over 3d transition metal single-atom catalysts: A theoretical investigation

Jinlong Liu et al.

Summary: By using density functional theory calculations, it was found that the central metal and coordinating atoms strongly influence the oxygen electrocatalysis activity on metal single-atom catalysts, primarily by tuning the adsorption free energy of adsorbed hydroxyl. Dual limiting potential volcano curves were constructed, with Ni-N2-C identified as the optimal synthetic target for bifunctional ORR/OER electrocatalysis.

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Article Chemistry, Physical

Edge Effect Promotes Graphene-Confining Single-Atom Co-N4 and Rh-N4 for Bifunctional Oxygen Electrocatalysis

Fangfang Zheng et al.

Summary: Designing bifunctional electrocatalysts for the ORR and OER is crucial for improving performance in reversible oxygen/water redox cell systems. This study explores the effect of graphene edges on the activity of single-atom M-N-4 motifs, with Co-N-4 and Rh-N-4 motifs at the armchair edge predicted to be optimal catalytic sites for ORR/OER. Symmetry breaking around the edge may impact intermediates' adsorption and thermodynamics, providing theoretical guidance for designing bifunctional oxygen electrode materials.

JOURNAL OF PHYSICAL CHEMISTRY C (2022)

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Article Chemistry, Multidisciplinary

Superdurable Bifunctional Oxygen Electrocatalyst for High-Performance Zinc-Air Batteries

Chenhui Zhou et al.

Summary: A Mn-doped RuO2 bimetallic oxide with atomic-scale dispersion of Mn atoms exhibits remarkable activity and super durability for both ORR and OER, providing a new catalyst design strategy for Zn-air batteries.

JOURNAL OF THE AMERICAN CHEMICAL SOCIETY (2022)

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Article Chemistry, Physical

Coordination environments tune the activity of oxygen catalysis on single atom catalysts: A computational study

Gaofan Xiao et al.

Summary: By utilizing density functional theory calculations, this research systematically studied the ORR/OER performances of nitrogen-coordinated transition metal carbon materials and found that asymmetric tri-coordinated catalysts, particularly NiN3-C, exhibit stronger catalytic intermediate adsorption capacity and lower overpotential, making them highly efficient bifunctional catalysts for oxygen catalysis. The enhanced effect is attributed to additional orbital interaction, as evidenced by changes in d-band center and integral crystal orbital Hamilton population. This study not only provides a potential bifunctional oxygen catalyst, but also enriches knowledge in coordination engineering for tailoring the activity of single-atom catalysts.

NANO RESEARCH (2022)

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Article Chemistry, Multidisciplinary

Optimizing Microenvironment of Asymmetric N,S-Coordinated Single-Atom Fe via Axial Fifth Coordination toward Efficient Oxygen Electroreduction

Longbin Li et al.

Summary: In this study, a self-sacrificing strategy was developed to synthesize single-atom Fe catalyst with a unique penta-coordination microenvironment, showing superior catalytic activity in ORR and high peak power density in fuel cells and batteries.

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Boosting Electrocatalytic Activity of Single Atom Catalysts Supported on Nitrogen-Doped Carbon through N Coordination Environment Engineering

Xiaoran Zhang et al.

Summary: In this study, single cobalt atom catalysts embedded in nitrogen-doped carbon materials were successfully synthesized by precursor modulation. The researchers found that the catalyst with graphitic nitrogen coordination exhibited superior activity and stability in oxygen reduction and evolution reactions, due to the electron donation effect of graphitic nitrogen on the Co-N-4 active sites.

SMALL (2022)

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Article Chemistry, Multidisciplinary

High-Performance Zinc-Air Batteries Based on Bifunctional Hierarchically Porous Nitrogen-Doped Carbon

Fukang Gui et al.

Summary: This study introduces a hierarchically porous nitrogen-doped carbon catalyst with bifunctional oxygen electrocatalysis for Zn-air batteries, showing superior electrocatalytic activity. Primary and rechargeable Zn-air batteries are fabricated using this catalyst as the cathode.

SMALL (2022)

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Article Multidisciplinary Sciences

Manipulating the oxygen reduction reaction pathway on Pt-coordinated motifs

Jiajun Zhao et al.

Summary: Controlling the coordination environment of Pt can manipulate the 2e(-) or 4e(-) reduction pathways, leading to controlled product selectivity and H2O2 generation rate during oxygen reduction.

NATURE COMMUNICATIONS (2022)

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Article Chemistry, Physical

Atomically Dispersed Fe-Co Dual Metal Sites as Bifunctional Oxygen Electrocatalysts for Rechargeable and Flexible Zn-Air Batteries

Yuting He et al.

Summary: This study presents atomically dispersed Fe-Co dual metal sites derived from Fe and Co codoped zeolitic imidazolate frameworks, showing excellent bifunctional catalytic activity for ORR and OER in alkaline media. The FeCo-NC catalyst exhibits outstanding stability and is integrated into an air electrode for fabricating rechargeable and flexible Zn-air batteries, achieving a high power density and long-cycle stability. This work offers a method to design and synthesize atomically dispersed multi-metal site catalysts for advanced electrocatalysis.

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Strain engineering in the oxygen reduction reaction and oxygen evolution reaction catalyzed by Pt-doped Ti2CF2

Ninggui Ma et al.

Summary: Strain engineering is an effective approach to enhance the catalytic performance of Pt-doped Ti2CF2, particularly showing improved ORR and OER catalytic performance under specific strain conditions, while also increasing selectivity by suppressing HER.

JOURNAL OF MATERIALS CHEMISTRY A (2022)

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Coupling isolated Ni single atoms with sub-10 nm Pd nanocrystals embedded in porous carbon frameworks to boost oxygen electrocatalysis for Zn-air batteries

Shangzhi Wang et al.

Summary: This study successfully integrates single atom sites with small-sized noble metals to break out their incompatibility in synthesis and to improve their thermostability, offering a versatile approach to develop single atom-based bifunctional catalysts for energy devices.

JOURNAL OF MATERIALS CHEMISTRY A (2022)

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Synergistic Binary Fe-Co Nanocluster Supported on Defective Tungsten Oxide as Efficient Oxygen Reduction Electrocatalyst in Zinc-Air Battery

Qinglin Han et al.

Summary: This study introduces an efficient ORR catalyst design strategy, combining binary Fe/Co nanoclusters with conductive metal oxide support to achieve high-performance and stable catalytic activity. The research results demonstrate that with the design of 3D ordered macroporous structure, 3DOM Fe/Co@NC-WO2-x exhibits higher ORR activity compared to Pt/C.

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Review Chemistry, Multidisciplinary

Oxygen Evolution Reaction in Alkaline Environment: Material Challenges and Solutions

Xiaohong Xie et al.

Summary: This article reviews the active sites for three mainstream non-precious metal catalysts for the oxygen evolution reaction (OER) and discusses the degradation mechanisms and mitigation strategies for these sites. Additionally, it explores the gaps between the research and development of non-precious metal catalysts for the OER and their application in practical devices.

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Metalloid-Cluster Ligands Enabling Stable and Active FeN4-Ten Motifs for the Oxygen Reduction Reaction

Bifa Ji et al.

Summary: This study demonstrates a design strategy to create a catalyst with excellent ORR activity and stability by incorporating Fe-N-4 motifs into carbon matrices and replacing the thiolate ligand with a stable tellurium cluster. The catalysts with FeN4-Te-n structure exhibit better activity and stability than commercial Pt/C catalyst.

ADVANCED MATERIALS (2022)

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Article Chemistry, Multidisciplinary

Triggering Lattice Oxygen Activation of Single-Atomic Mo Sites Anchored on Ni-Fe Oxyhydroxides Nanoarrays for Electrochemical Water Oxidation

Yunzhen Wu et al.

Summary: This study demonstrates the tuning of the reactivity of lattice oxygen by anchoring single-atomic Mo sites on Ni-Fe oxyhydroxide nanoarrays, leading to a significant acceleration of the oxygen evolution reaction. Through experimental and theoretical investigations, it is confirmed that the introduction of single-atomic Mo sites enhances the oxidation state of the metal and the metal-oxygen hybridization, resulting in the formation of oxidized ligand holes above the Fermi level.

ADVANCED MATERIALS (2022)

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Article Engineering, Environmental

Regulating metal active sites of atomically-thin nickel-doped spinel cobalt oxide toward enhanced oxygen electrocatalysis

Jun Zhao et al.

Summary: The study demonstrates the high performance of atomically-thin nickel-doped spinel cobalt oxide as bifunctional catalyst for oxygen evolution and oxygen reduction reactions. Nickel doping plays a crucial role in creating active sites and promoting electron transfer, enhancing the activity of both OER and ORR. The findings expand the strategies for preparing bifunctional oxygen catalysts.

CHEMICAL ENGINEERING JOURNAL (2022)

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Article Engineering, Environmental

Precise identification of active sites of a high bifunctional performance 3D Co/N-C catalyst in Zinc-air batteries

Rui Wang et al.

Summary: In this study, a three-dimensional porous nitrogen-doped carbon matrix integrated with nano-scaled cobalt species was developed as an efficient electrocatalyst for oxygen reduction reaction (ORR) and oxygen evolution reaction (OER). The resulting catalyst showed remarkable activity in both ORR and OER, leading to excellent performance and power density of zinc-air batteries. Experimental and computational analyses identified the active sites responsible for the catalytic activity.

CHEMICAL ENGINEERING JOURNAL (2022)

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Cu-N4 single atoms derived from metal-organic frameworks with trapped nitrogen-rich molecules and their use as efficient electrocatalysts for oxygen reduction reaction

Fenghong Lu et al.

Summary: To meet the demand for large-scale commercialization of proton-exchange membrane fuel cells and metal-air batteries, a novel strategy was developed to fabricate high-performance Cu-SAs/NSs. By adding nitrogen-rich molecules to promote the self-assembly of Cu/Zn bimetallic MOF, a highly porous structure and abundant Cu-N-4 active sites were formed, leading to remarkable ORR performance.

CHEMICAL ENGINEERING JOURNAL (2022)

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Article Chemistry, Physical

Single Ir atom anchored in pyrrolic-N4 doped graphene as a promising bifunctional electrocatalyst for the ORR/OER: a computational study

Xinyi Li et al.

Summary: In this study, the potential of pyrrolic-N doped graphene supported various transition metal atoms as electrocatalysts for ORR and OER was systematically explored using DFT computations. The Ir/pyrrolic-N-4-G exhibited promising bifunctional electrocatalytic performance with low overpotentials. Multiple-level descriptors were used to rationalize the high catalytic activity of Ir/pyrrolic-N-4-G for the ORR/OER.

JOURNAL OF COLLOID AND INTERFACE SCIENCE (2022)

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Article Chemistry, Physical

Vibronic Coupling of Adjacent Single-Atom Co and Zn Sites for Bifunctional Electrocatalysis of Oxygen Reduction and Evolution Reactions

Yu Yan et al.

Summary: This study investigates the use of adjacent single-metal sites as a way to improve the activity of single-atom catalysts through a modulation effect. By using first-principle calculations, a CoN4-ZnN4/C catalyst anchored on nitrogen-doped graphene is predicted to show promising electrocatalytic activity for oxygen reduction and evolution reactions, outperforming commercial benchmarks. The enhanced catalytic activity is attributed to the asymmetric deformation and pseudo-Jahn-Teller vibronic coupling effect induced by the Zn site.

JOURNAL OF PHYSICAL CHEMISTRY LETTERS (2022)

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Article Chemistry, Multidisciplinary

Theoretically Revealed and Experimentally Demonstrated Synergistic Electronic Interaction of CoFe Dual-Metal Sites on N-doped Carbon for Boosting Both Oxygen Reduction and Evolution Reactions

Xuyan Zhou et al.

Summary: Heteronuclear double-atom catalysts modify the charge density of active metal sites and enhance catalytic activities. CoFe-N-C exhibits exceptional ORR and OER electro-catalytic activities in alkaline media.

NANO LETTERS (2022)

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Single-atom Fe-N5 catalyst for high-performance zinc-air batteries

Le Li et al.

Summary: A single-atom catalyst Fe-N-C/rGO SAC is prepared by pyrolyzing ZIF-8 and GO composite, which effectively promotes the oxygen reduction and oxygen evolution reactions for both liquid and solid-state ZABs, exhibiting excellent performance and reliable cycling stability.

NANO RESEARCH (2022)

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Article Chemistry, Physical

Oxygen Engineering Enables N-Doped Porous Carbon Nanofibers as Oxygen Reduction/Evolution Reaction Electrocatalysts for Flexible Zinc-Air Batteries

Fuqiang Qiang et al.

Summary: The study proposes a simple oxygen engineering strategy to improve the performance of heteroatom-doped carbon catalysts for oxygen reduction/evolution reactions. The crucial role of carboxyl groups in enhancing the oxygen electrocatalytic activity is verified through experimental and theoretical calculations. Additionally, the catalyst shows potential applications in zinc-air batteries.

ACS CATALYSIS (2022)

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Atomically dispersed cobalt anchored on N-doped graphene aerogels for efficient electromagnetic wave absorption with an ultralow filler ratio

Jia Xu et al.

Summary: An efficient strategy for constructing ultralight electromagnetic wave absorbers with strong absorption performance was proposed in this study. N-doped graphene aerogels containing isolated single cobalt atoms (Co-SAs/GAs) were successfully synthesized and exhibited excellent absorption performance. The relationship between the single-atom structure and electromagnetic wave absorption property was comprehensively investigated through theoretical calculations and experimental results.

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Article Chemistry, Multidisciplinary

In Situ Monitored (N, O)-Doping of Flexible Vertical Graphene Films with High-Flux Plasma Enhanced Chemical Vapor Deposition for Remarkable Metal-Free Redox Catalysis Essential to Alkaline Zinc-Air Batteries

Zhiheng Wu et al.

Summary: A high-performance metal-free bifunctional catalyst was successfully synthesized for rechargeable zinc-air batteries, outperforming traditional precious-metal catalysts in terms of performance. This research provides a solid foundation for developing low-cost, resource-sustainable, and eco-friendly metal-free zinc-air batteries.

ADVANCED SCIENCE (2022)

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Article Multidisciplinary Sciences

A clicking confinement strategy to fabricate transition metal single-atom sites for bifunctional oxygen electrocatalysis

Chang-Xin Zhao et al.

Summary: This research proposes a clicking confinement strategy to efficiently predisperse transition metal atoms and fabricate high-performance bifunctional oxygen electrocatalysts. The approach extends the methodology for the synthesis of catalytic materials and shows promising application prospects.

SCIENCE ADVANCES (2022)

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Article Chemistry, Multidisciplinary

Tuning the Site-to-Site Interaction in Ru-M (M = Co, Fe, Ni) Diatomic Electrocatalysts to Climb up the Volcano Plot of Oxygen Electroreduction

Mengjie Liu et al.

Summary: By modulating the d-orbital energy level, we successfully synthesized N-doped carbon materials with paired metal sites. Compared with other counterparts, the Ru-Co diatomic catalyst exhibited higher oxygen electroreduction activity and better catalytic performance. Moreover, in a gas diffusion Zn-air battery, the Ru-Co diatomic catalyst showed bifunctional activity that outperformed commercial catalysts.

ACS NANO (2022)

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Article Chemistry, Multidisciplinary

Modulation of Ligand Fields in a Single-Atom Site by the Molten Salt Strategy for Enhanced Oxygen Bifunctional Activity for Zinc-Air Batteries

Kun Wang et al.

Summary: A versatile molten salt-assisted pyrolysis strategy was developed to construct ultrathin, porous carbon nanosheets supported Co single-atom catalysts (SACs). The SACs exhibited excellent bifunctional activity and stability and outperformed commercial catalysts in metal-air batteries.

ACS NANO (2022)

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Article Chemistry, Physical

Investigation on the demetallation of Fe-N-C for oxygen reduction reaction: The influence of structure and structural evolution of active site

Xinlong Xu et al.

Summary: This study reveals the significant influence of the structure and structural evolution of FeN4 site in Fe-N-C catalysts on the activity and stability of oxygen reduction reaction. The key challenge lies in solving the demetallation issue.

APPLIED CATALYSIS B-ENVIRONMENTAL (2022)

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Etch-evaporation enabled defect engineering to prepare high-loading Mn single atom catalyst for Li-S battery applications

Shaoming Qiao et al.

Summary: This study reports a defect engineering strategy using etch-evaporation to fabricate manganese-nitrogen doped porous carbon for separator modification. The modified separator exhibits high conductivity, strong immobilization and excellent catalytic activity, leading to improved performance of lithium-sulfur batteries.

CHEMICAL ENGINEERING JOURNAL (2022)

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Article Chemistry, Multidisciplinary

Identification of the Highly Active Co-N4 Coordination Motif for Selective Oxygen Reduction to Hydrogen Peroxide

Shanyong Chen et al.

Summary: The research reveals that pyrrole-type CoN4 and pyridine-type CoN4 are responsible for 2e- ORR and 4e- ORR reactions, respectively. Pyrrole-type CoN4 catalyst exhibits excellent H2O2 selectivity and yield in acid media. This study is significant for understanding the structure-function relationship of Co-N4 single-atom catalysts and improving H2O2 production.

JOURNAL OF THE AMERICAN CHEMICAL SOCIETY (2022)

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Article Chemistry, Multidisciplinary

Transition Metal (Co, Ni, Fe, Cu) Single-Atom Catalysts Anchored on 3D Nitrogen-Doped Porous Carbon Nanosheets as Efficient Oxygen Reduction Electrocatalysts for Zn-Air Battery

Mengtian Zhang et al.

Summary: In this study, highly active single-atom catalysts (SACs) for oxygen reduction reaction (ORR) were explored using density functional theory (DFT) calculations and experimental synthesis. Co SACs showed the best ORR activity, comparable to platinum catalysts. X-ray absorption fine structure (XAFS) spectra confirmed that atomically dispersed Co-N-4 sites were the active sites. Additionally, the catalyst exhibited outstanding performance in a zinc-air battery.

SMALL (2022)

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Article Chemistry, Physical

Molecularly Engineered Carbon Platform To Anchor Edge-Hosted Single-Atomic M-N/C (M = Fe, Co, Ni, Cu) Electrocatalysts of Outstanding Durability

Woo Yeong Noh et al.

Summary: The synthetic protocol based on molecularly engineered anchoring carbon platform (ACP) and microwave pyrolysis stabilizes concentrated edge-hosted single-atom catalytic sites, enhancing the activity and stability of the catalysts.

ACS CATALYSIS (2022)

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Article Chemistry, Physical

Anchoring Mo Single-Atom Sites on B/N Codoped Porous Carbon Nanotubes for Electrochemical Reduction of N2 to NH3

Lei Shi et al.

Summary: In this study, B/N codoped porous carbon nanotube-supported single Mo site catalysts were designed and synthesized for efficient electrochemical N-2 reduction reaction. The catalyst exhibited high catalytic activity and faradaic efficiency, making it a promising candidate for artificial ammonia synthesis.

ACS CATALYSIS (2022)

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Article Chemistry, Multidisciplinary

Ultra-dense carbon defects as highly active sites for oxygen reduction catalysis

Qilong Wu et al.

Summary: This study demonstrates a self-corrosion strategy to control the defect density in carbon materials, leading to enhanced oxygen reduction catalytic performance. The high-density carbon defects were found to serve as efficient active sites, contributing to improved electrocatalytic activity.

CHEM (2022)

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Article Chemistry, Physical

Ultrafine Fe2C nanocrystals encapsulated in interconnected hollow carbon spheres as ORR electrocatalysts for Alkaline/Neutral Zn- Air batteries

Kuang Sheng et al.

Summary: The introduction of a hollow spherical framework structure during the solid-state reaction has enabled the synthesis of an excellent ORR catalyst, demonstrating comparable or even superior electrocatalytic performance to commercial Pt/C.

APPLIED SURFACE SCIENCE (2022)

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Article Chemistry, Physical

S heteroatom doping in highly porous carbonaceous spheres for boosted oxygen reduction reaction of atomically dispersed Fe-N4 active sites

Wenjie Wei et al.

Summary: Tuning the coordination environment of atomically dispersed single atoms (SAs) through heteroatom doping is an effective strategy to enhance the electrocatalytic activity of oxygen reduction reaction (ORR). The synergistic effect of dual heteroatom doping allows for higher ORR efficiency. In this study, Fe-SAs@N/S-PCSs material was fabricated and demonstrated exceptional ORR and OER activity, showcasing its outstanding performance in energy conversion applications.

CARBON (2022)

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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)

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Article Electrochemistry

Platinum single-atom catalyst with self-adjustable valence state for large-current-density acidic water oxidation

Hui Su et al.

Summary: By modulating the electronic structure of Pt, a Pt-based catalyst with high OER activity under acidic conditions and large current density was developed. In situ experiments showed the production of a key (*O)-Pt-1-C2N2 intermediate, favoring the dissociation of H2O and preventing over-oxidation of active sites.

ESCIENCE (2022)

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Article Chemistry, Physical

Template-assisted synthesis of single-atom catalysts supported on highly crystalline vanadium pentoxide for stable oxygen evolution

Chulmin Youn et al.

Summary: A template-assisted synthesis method is developed to achieve highly stable oxygen evolution reaction (OER) using single-atom cobalt catalysts anchored on highly crystalline V2O5 nanobelts. The resulting catalyst exhibits high OER activity, exceptional durability, and excellent cycling performance.

CHEM CATALYSIS (2022)

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Article Chemistry, Physical

Square-pyramidal Fe-N4 with defect-modulated O-coordination: Two-tier electronic structure fine-tuning for enhanced oxygen reduction

Xuehai Tan et al.

Summary: This study demonstrates a two-tier electronic modulation strategy to optimize the Fe center in iron phthalocyanine (FePc) for improved performance in the oxygen reduction reaction (ORR). By using defect-modulated oxygen coordination, the researchers achieved an atomically dispersed FePc-O-defect catalyst with significantly enhanced ORR performances. The catalyst exhibited the highest reported values among non-precious metal electrocatalysts, exceeding the baseline with bare oxygen coordination.

CHEM CATALYSIS (2022)

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Article Chemistry, Physical

Doped MXene combinations as highly efficient bifunctional and multifunctional catalysts for water splitting and metal-air batteries

Rohit Anand et al.

Summary: Designing efficient bifunctional and multifunctional catalysts is crucial for the development of clean and renewable energy technologies. By incorporating non-noble metal atoms onto the surface of MXenes, their properties can be modified. Using machine learning and density functional theory, we systematically screened and investigated different MXene combinations to explore their catalytic abilities.

JOURNAL OF MATERIALS CHEMISTRY A (2022)

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Review Chemistry, Physical

Tailoring the selectivity and activity of oxygen reduction by regulating the coordination environments of carbon-supported atomically dispersed metal sites

Pan Zhu et al.

Summary: This review focuses on the coordination structures of carbon-supported atomically dispersed metal sites (C-ADMSs) and their relationship with the activity and selectivity of the oxygen reduction reaction (ORR). The influences of coordination atoms and coordination numbers on the selectivity and activity of the ORR are summarized, and an attempt is made to identify the general principles of the regulating mechanism.

JOURNAL OF MATERIALS CHEMISTRY A (2022)

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Article Chemistry, Physical

Two-dimensional metal-organic frameworks as efficient electrocatalysts for bifunctional oxygen evolution/reduction reactions

Anyang Wang et al.

Summary: In this study, the performance of a new class of two-dimensional metal-organic frameworks (MOFs) in oxygen evolution/reduction reactions is systematically investigated. Rh-3(C6S6)(2) is found to exhibit promising bifunctional oxygen electrocatalytic activity. Volcano plots and contour maps are established to describe the relationship between activity and intermediate adsorption strength. The catalytic origin of the activity is attributed to the simple d-electron number of the central metal.

JOURNAL OF MATERIALS CHEMISTRY A (2022)

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Dynamic coordination transformation of active sites in single-atom MoS2 catalysts for boosted oxygen evolution catalysis

Nian Ran et al.

Summary: This study presents a strategy for designing 3d transition metal-oxygen complex single-atom catalytic sites to achieve high catalytic activity for the oxygen evolution reaction (OER). Through a dynamic coordination transformation, the active sites and adsorption-responsive orbitals are exposed, favoring the adsorption of oxidative intermediates and improving the OER catalytic activity.

ENERGY & ENVIRONMENTAL SCIENCE (2022)

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Intrinsic Electrocatalytic Activity Regulation of M-N-C Single-Atom Catalysts for the Oxygen Reduction Reaction

Chang-Xin Zhao et al.

Summary: This Review summarizes the regulation strategies for promoting the intrinsic electrocatalytic ORR activity of M-N-C SACs by modulation of the center metal atoms, the coordinated atoms, the environmental atoms, and the guest groups. The study includes both theoretical calculations and experimental investigations to provide a comprehensive understanding of the structure-performance relationship. Proposed future directions involve developing advanced M-N-C SACs for electrocatalytic ORR and other analogous reactions.

ANGEWANDTE CHEMIE-INTERNATIONAL EDITION (2021)

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Article Chemistry, Physical

3D N-doped ordered mesoporous carbon supported single-atom Fe-N-C catalysts with superior performance for oxygen reduction reaction and zinc-air battery

Junxing Han et al.

Summary: The novel single-atom electrocatalyst Fe-N-C/N-OMC exhibits high ORR activity, attributed to the unique structure of Fe-N-C sites and the advantages of the 3D mesoporous carbon structure.

APPLIED CATALYSIS B-ENVIRONMENTAL (2021)

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Article Chemistry, Multidisciplinary

Boosting Oxygen Dissociation over Bimetal Sites to Facilitate Oxygen Reduction Activity of Zinc-Air Battery

He Sun et al.

Summary: This study identifies the critical role of bimetal sites in boosting oxygen reduction activity, confirming their potential feasibility in practical applications.

ADVANCED FUNCTIONAL MATERIALS (2021)

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Article Chemistry, Multidisciplinary

Turning on Zn 4s Electrons in a N2-Zn-B2 Configuration to Stimulate Remarkable ORR Performance

Jing Wang et al.

Summary: A newly explored zinc-based single-atom catalyst with a unique N-2-Zn-B-2 configuration demonstrates impressive ORR activity and remarkable long-term stability, achieved through manipulating the s-band by constructing a B,N co-coordinated Zn-B/N-C catalyst.

ANGEWANDTE CHEMIE-INTERNATIONAL EDITION (2021)

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Review Nanoscience & Nanotechnology

Defect Engineering on Carbon-Based Catalysts for Electrocatalytic CO2 Reduction

Dongping Xue et al.

Summary: This paper systematically introduces the main construction methods of carbon-based nanomaterials with different defects, and reviews the structure-activity relationship of defective carbon-based catalysts in electrocatalytic carbon dioxide reduction (ECR) reaction. The challenges and opportunities of high-performance defective CBN in ECR are discussed, along with possible future solutions.

NANO-MICRO LETTERS (2021)

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Article Chemistry, Multidisciplinary

Atomically Dispersed Co2-N6 and Fe-N4 Costructures Boost Oxygen Reduction Reaction in Both Alkaline and Acidic Media

Zhe Wang et al.

Summary: Researchers have developed a new ternary-atom catalyst with Co-Co dimers and Fe single sites, demonstrating superior performance in ORR. By controlling the local configuration of atoms, researchers have enhanced the performance of the catalyst, making it a promising alternative to platinum for driving zinc-air batteries.

ADVANCED MATERIALS (2021)

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Article Chemistry, Multidisciplinary

NiSn Atomic Pair on an Integrated Electrode for Synergistic Electrocatalytic CO2 Reduction

Wenfu Xie et al.

Summary: Research has shown that a NiSn atomic-pair electrocatalyst exhibits a synergistic effect for the CO2 reduction reaction to form formate, with superior activity and selectivity. The study provides a successful paradigm for the rational design and preparation of atomic-pair electrocatalysts with enhanced performance.

ANGEWANDTE CHEMIE-INTERNATIONAL EDITION (2021)

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Article Chemistry, Multidisciplinary

Enzyme-Inspired Iron Porphyrins for Improved Electrocatalytic Oxygen Reduction and Evolution Reactions

Lisi Xie et al.

Summary: An enzyme-inspired Fe porphyrin 1 has been found to be an efficient catalyst for both ORR and OER, outperforming its imidazole-free analogue 2. Experimental results suggest that 1 can prevent the formation of less effective trans HO-Fe-V=O, thereby improving the efficiency of O-O bond formation.

ANGEWANDTE CHEMIE-INTERNATIONAL EDITION (2021)

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Article Chemistry, Physical

Reconstructing the Coordination Environment of Platinum Single-Atom Active Sites for Boosting Oxygen Reduction Reaction

Jing Liu et al.

Summary: Efficient platinum single-atom (Pt-1) catalysts are sought after for reducing the costs of polymer electrolyte membrane (PEM) fuel cells. In this study, a Pt-based electrocatalyst was prepared by hydrothermal ethanol reduction method with high selectivity for the oxygen reduction pathway. Further reconstruction of the coordination environment led to the formation of highly efficient platinum single-atom active sites for oxygen reduction. The obtained catalyst demonstrated excellent performance and stability, outperforming commercial Pt/C by 8.7 times in mass activity at a cell voltage of 0.9 V.

ACS CATALYSIS (2021)

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Article Chemistry, Physical

Atomically Dispersed Fe-Heteroatom (N, S) Bridge Sites Anchored on Carbon Nanosheets for Promoting Oxygen Reduction Reaction

Mengran Wang et al.

Summary: This study developed a method to fabricate single Fe atom catalysts with good oxygen reduction activity. The FeN3S atomic sites induced charge redistribution, lowering the binding strength of oxygenated reaction intermediates and leading to improved reaction kinetics.

ACS ENERGY LETTERS (2021)

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Article Chemistry, Physical

Modular Design of Highly Active Unitized Reversible Fuel Cell Electrocatalysts

Malte Klingenhof et al.

Summary: A modular, multicomponent catalyst design principle has been introduced and exemplified in the design of a three-component ORR/OER catalyst for URFCs. The catalyst system showed unprecedented catalytic performance and improved activity and stability compared to platinum group metal references in URFC cycling. Stepwise modular optimization of the OER component led to further improved performance, outperforming all previous materials in terms of combined overpotential and performance stability on the RDE scale.

ACS ENERGY LETTERS (2021)

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Article Chemistry, Multidisciplinary

Engineering Crystallinity and Oxygen Vacancies of Co(II) Oxide Nanosheets for High Performance and Robust Rechargeable Zn-Air Batteries

Yuhui Tian et al.

Summary: This study combines comprehensive characterizations and density functional theory calculations to investigate the roles of crystallinity and oxygen vacancy levels in Co(II) oxide on ORR and OER activities. The conversion of Co(OH)(2) into oxygen-defective amorphous-crystalline CoO nanosheets with controlled crystallinity and oxygen vacancy levels leads to significantly enhanced electrocatalytic activities. The introduction of amorphous structures and oxygen vacancies in the ODAC-CoO material proves to be an effective strategy for achieving high-performance electrocatalytic ORR and OER processes.

ADVANCED FUNCTIONAL MATERIALS (2021)

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Article Chemistry, Multidisciplinary

Highly Curved Nanostructure-Coated Co, N-Doped Carbon Materials for Oxygen Electrocatalysis

Zuozhong Liang et al.

Summary: This study reports the synthesis of onion-like carbon coated Co, N-doped carbon materials, which exhibit high catalytic activity for oxygen reduction/evolution reactions and have a promising application in rechargeable Zn-air batteries. The unique nanospheres formed by highly curved nanostructures and mesoporous architectures contribute to the enhanced performance of the materials.

ANGEWANDTE CHEMIE-INTERNATIONAL EDITION (2021)

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Article Multidisciplinary Sciences

High-performance AEM unitized regenerative fuel cell using Pt-pyrochlore as bifunctional oxygen electrocatalyst

Pralay Gayen et al.

Summary: The study focuses on the bifunctional oxygen electrocatalyst for fixed-gas unitized regenerative fuel cells (FG-URFCs), synthesizing Pt-Pb2Ru2O7-x which shows superior ORR and OER activity compared to benchmark electrocatalysts. It demonstrates potential for applications in AEM URFC or metal-air battery.

PROCEEDINGS OF THE NATIONAL ACADEMY OF SCIENCES OF THE UNITED STATES OF AMERICA (2021)

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Article Multidisciplinary Sciences

Robust wrinkled MoS2/N-C bifunctional electrocatalysts interfaced with single Fe atoms for wearable zinc-air batteries

Yan Yan et al.

Summary: This study presents a facile strategy for crafting MoS2@Fe-N-C bifunctional electrocatalysts with enhanced ORR and OER performance, leading to robust wearable ZABs with high capacity and outstanding cycling stability. The single-atom-interfaced core/shell design shows lowered energy barriers for both reactions, resulting in efficient metal-air batteries.

PROCEEDINGS OF THE NATIONAL ACADEMY OF SCIENCES OF THE UNITED STATES OF AMERICA (2021)

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Article Chemistry, Multidisciplinary

Single-Atom Rhodium on Defective g-C3N4: A Promising Bifunctional Oxygen Electrocatalyst

Huan Niu et al.

Summary: This study utilized density functional theory to validate the feasibility of single transition metal embedded in defective g-C3N4 for bifunctional oxygen electrocatalysis. Rh/V-N-CN was identified as a promising bifunctional catalyst, and the origin of activity was revealed through descriptors and machine learning analysis. The research provides guidance for the design of single-atom catalysts and the discovery of more efficient catalysts.

ACS SUSTAINABLE CHEMISTRY & ENGINEERING (2021)

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Article Chemistry, Multidisciplinary

Operando Cooperated Catalytic Mechanism of Atomically Dispersed Cu-N4 and Zn-N4 for Promoting Oxygen Reduction Reaction

Miaomiao Tong et al.

Summary: The dual-metal single-atom catalyst Cu/Zn-NC shows excellent ORR activity and stability, with operando XANES and DFT calculations revealing the synergistic interaction between Cu-N-4 and Zn-N-4 as well as the transitions between different states.

ANGEWANDTE CHEMIE-INTERNATIONAL EDITION (2021)

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Article Chemistry, Physical

Enhanced Fe 3d delocalization and moderate spin polarization in Fe-Ni atomic pairs for bifunctional ORR and OER electrocatalysis

Hongguan Li et al.

Summary: This study reveals the significant impact of the cooperative interplay between charge itineration and spin-polarization of electrons on catalytic behavior through density functional theory calculations. The Fe-Ni atomic pair is reported as a superior bifunctional catalyst for high performance ORR and OER, with a very small potential difference (Delta E) of 0.691 V. The coexistence of Fe 3d itinerant charge and moderate spin polarization is responsible for the superior functional catalytic activity for the Fe-Ni atomic pairs.

APPLIED CATALYSIS B-ENVIRONMENTAL (2021)

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Article Chemistry, Physical

Template-free synthesis of non-noble metal single-atom electrocatalyst with N-doped holey carbon matrix for highly efficient oxygen reduction reaction in zinc-air batteries

Suyuan Zhang et al.

Summary: This study reported the fabrication of M-N-C single-atom electrocatalysts using template-free method with CB[6] self-assembly, showing high activity and long-term stability in ZAB. The Fe-NHC catalyst exhibited better catalytic activity in alkaline condition compared to commercial Pt/C. This work offered a promising strategy to design stable and highly efficient catalyst for long-life electrochemical storage devices.

APPLIED CATALYSIS B-ENVIRONMENTAL (2021)

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Article Chemistry, Physical

Stone-Wales defect-rich carbon-supported dual-metal single atom sites for Zn-air batteries

Kishwar Khan et al.

Summary: The study shows that the NiFe-DG catalyst exhibits high catalytic activity for both oxygen reduction reaction (ORR) and oxygen evolution reaction (OER), comparable to commercial Pt/C, while demonstrating superior stability.

NANO ENERGY (2021)

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Article Chemistry, Multidisciplinary

Short-Range Ordered Iridium Single Atoms Integrated into Cobalt Oxide Spinel Structure for Highly Efficient Electrocatalytic Water Oxidation

Jieqiong Shan et al.

Summary: This study proposes a method to integrate noble metal atoms into the lattice of transition metal oxides to create a new type of hybrid structure, showing that iridium single atoms can be effectively accommodated into cobalt spinel oxide. The resultant catalyst exhibits significantly higher electrocatalytic activity under acidic conditions, with improved corrosion resistance and oxidative potentials. This work eliminates the close-packing limitation of noble metals and offers promising opportunities for creating analogues with desired topologies for various catalytic applications.

JOURNAL OF THE AMERICAN CHEMICAL SOCIETY (2021)

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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)

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Article Chemistry, Applied

Identifying the Zn-Co binary as a robust bifunctional electrocatalyst in oxygen reduction and evolution reactions via shifting the apexes of the volcano plot

Jing Wang et al.

Summary: This study systematically investigated Zn-Co bimetallic isolation using density functional theory and found that the ZnCoN6-gra(I) configuration exhibited the strongest interaction with oxygen-containing species. By optimizing the free energy change of these species, the volcano peaks of ORR and OER were effectively brought closer, enabling a promising bifunctional catalyst with durability in both acidic and alkaline media.

JOURNAL OF ENERGY CHEMISTRY (2021)

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Article Nanoscience & Nanotechnology

CoNi Nanoparticles Supported on N-Doped Bifunctional Hollow Carbon Composites as High-Performance ORR/OER Catalysts for Rechargeable Zn-Air Batteries

Kuang Sheng et al.

Summary: CoNi/NHCS-TUC-x composite materials, synthesized through a simple pyrolysis strategy, exhibit high ORR/OER electroactivity with different proportions of spherical carbon and tubular carbon, showing interesting bifunctional performance. The CoNi/NHCS-TUC-3 material demonstrates superior electrocatalytic performance for both ORR and OER, making it a promising candidate for rechargeable Zn-air batteries.

ACS APPLIED MATERIALS & INTERFACES (2021)

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Article Chemistry, Multidisciplinary

Hierarchically Assembled Cobalt Oxynitride Nanorods and N-Doped Carbon Nanofibers for Efficient Bifunctional Oxygen Electrocatalysis with Exceptional Regenerative Efficiency

Ki Ro Yoon et al.

Summary: Optimized design of bifunctional oxygen electrocatalysts is crucial for achieving high-performance energy conversion systems. The novel CoOx@CoNy/NCNF hybrid catalyst exhibits excellent oxygen reduction and oxygen evolution reaction activity, catalyzing redox reactions effectively and enhancing the stability of Zn-air batteries.

ACS NANO (2021)

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Article Chemistry, Multidisciplinary

Dual-Phasic Carbon with Co Single Atoms and Nanoparticles as a Bifunctional Oxygen Electrocatalyst for Rechargeable Zn-Air Batteries

Jin-Cheng Li et al.

Summary: This research introduces a dual-phasic carbon nanoarchitecture for boosting the reaction rates of ORR and OER by combining single-atom and nanosized phases, resulting in a bifunctional catalyst with high activity and durability. The ZAB based on this catalyst demonstrates excellent power density and cycling stability.

ADVANCED FUNCTIONAL MATERIALS (2021)

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Article Chemistry, Multidisciplinary

Anchoring Single Copper Atoms to Microporous Carbon Spheres as High-Performance Electrocatalyst for Oxygen Reduction Reaction

Lingbo Zong et al.

Summary: This study reports a method of anchoring transition metal single atoms on carbon support by creating defects and vacancies, resulting in electrocatalysts with superior oxygen reduction reaction catalytic activity. Among them, Cu-SAs@N-CNS exhibits excellent bifunctional activity for oxygen reduction and oxygen evolution reactions, and is successfully used as an efficient air cathode material for zinc-air batteries; the study suggests that N-terminated vacancies on graphitic carbons are the preferred sites for anchoring Cu single atoms.

ADVANCED FUNCTIONAL MATERIALS (2021)

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Article Chemistry, Multidisciplinary

Rational Design of Highly Stable and Active MXene-Based Bifunctional ORR/OER Double-Atom Catalysts

Bo Wei et al.

Summary: Designing highly active and bifunctional oxygen reduction reaction (ORR) and oxygen evolution reaction (OER) catalysts with non-noble metals such as Fe/Co/Ni on MXene surfaces has shown superior performance compared to traditional unifunctional catalysts, providing a novel pathway for tunable catalytic behavior in MXenes. The electronic structure analyses revealed that the excellent catalytic activities in MXene-based DACs are attributed to the electron-capturing capability and synergistic interactions between Fe/Co/Ni adsorbents and MXene substrate. These findings not only suggest promising candidates for MXene-based bifunctional ORR/OER catalysts but also offer new theoretical insights into rationally designing noble-metal-free bifunctional DACs.

ADVANCED MATERIALS (2021)

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Article Chemistry, Multidisciplinary

Iron Single Atom Catalyzed Quinoline Synthesis

Zhongxin Chen et al.

Summary: The study focuses on the development of mechanically strong, hierarchically porous carbon plates for the immobilization of single-atom catalysts (SACs) to enhance catalytic activity and stability. The carbon-based SACs exhibit excellent activity and selectivity for the synthesis of a wide assortment of quinolines through a three-component oxidative cyclization. The strategy is also applicable to challenging reactions such as the deuteration of quinolines at the fourth position.

ADVANCED MATERIALS (2021)

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Article Chemistry, Multidisciplinary

An Adjacent Atomic Platinum Site Enables Single-Atom Iron with High Oxygen Reduction Reaction Performance

Ali Han et al.

Summary: The modulation effect can enhance the catalytic activity of Fe-N-4 moiety through adjacent Pt-N-4 moiety, but it is less effective for optimizing the ORR performances of Co-N-4/Pt-N-4 and Mn-N-4/Pt-N-4 systems.

ANGEWANDTE CHEMIE-INTERNATIONAL EDITION (2021)

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Article Chemistry, Physical

An efficient dual-metal single-atom catalyst for bifunctional catalysis in zinc-air batteries

Yiou Ma et al.

Summary: By using graphene oxide to anchor metal ions in nitrogen-doped graphene, a dual-metal-site bifunctional catalyst with atomically dispersed FeN4 and NiN4 has been developed, showing highly efficient bifunctional catalytic activity.

CARBON (2021)

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Article Chemistry, Multidisciplinary

General synthesis of single-atom catalysts with high metal loading using graphene quantum dots

Chuan Xia et al.

Summary: A general method was reported for synthesizing single-atom catalysts with high transition-metal-atom loadings, showing significant improvements compared to benchmarks in the literature. The use of graphene quantum dots interwoven into a carbon matrix provided anchoring sites for high densities of transition-metal atoms without aggregation. An increase in activity was demonstrated in electrochemical CO2 reduction on a Ni single-atom catalyst with increased Ni loading.

NATURE CHEMISTRY (2021)

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Article Chemistry, Physical

Oxygen-evolving catalytic atoms on metal carbides

Shuang Li et al.

Summary: The study demonstrates stabilizing single-atom catalysts on tungsten carbides for efficient oxygen evolution reaction, achieving low overpotential and high turnover frequency due to the unique structure of tungsten carbides. The application of inexpensive and durable WCx supports opens up a promising pathway to develop further single-atom catalysts for electrochemical catalytic reactions.

NATURE MATERIALS (2021)

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Article Multidisciplinary Sciences

Atomically dispersed Fe atoms anchored on S and N-codoped carbon for efficient electrochemical denitrification

Jiacheng Li et al.

Summary: Single-atom catalysts with Cu or Fe active centers on an N-doped or S, N-codoped carbon basal plane were prepared for efficient nitrate removal and N2 or NH4+ production. The addition of S atoms modified the Fe SACs, leading to enhanced catalytic activity and nitrogen selectivity, providing a new avenue for designing high active SACs.

PROCEEDINGS OF THE NATIONAL ACADEMY OF SCIENCES OF THE UNITED STATES OF AMERICA (2021)

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Article Multidisciplinary Sciences

Mechanistic insight into the active centers of single/dual-atom Ni/Fe-based oxygen electrocatalysts

Wenchao Wan et al.

Summary: The authors reported the structural dynamics of dual-site nickel-iron single-atom oxygen electrocatalysts under reaction conditions, proposing a dual-site pathway for the water oxidation reaction. Single-atom catalysts with maximum metal utilization efficiency show great potential for sustainable catalytic applications and fundamental mechanistic studies. The convenient molecular tailoring strategy based on graphitic carbon nitride as support allows for the rational design of single-site and dual-site single-atom catalysts.

NATURE COMMUNICATIONS (2021)

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Article Chemistry, Physical

Theoretical Inspection of M1/PMA Single-Atom Electrocatalyst: Ultra-High Performance for Water Splitting (HER/OER) and Oxygen Reduction Reactions (OER)

Shamraiz Hussain Talib et al.

Summary: This study investigates the electrocatalytic performance of single-atom catalysts supported on a phosphomolybdic acid (PMA) cluster for hydrogen evolution, oxygen evolution, and oxygen reduction reactions. The results show that Pt-1/PMA, Ru-1/PMA, V-1/PMA, and Ti-1/PMA exhibit decent catalytic performance for the HER, while Co-1/PMA and Pt-1/PMA are active and selective catalysts for the OER. Fe-1/PMA SAC is a promising electrocatalyst for the ORR.

ACS CATALYSIS (2021)

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Article Chemistry, Physical

Flexible carbon nanofiber film with diatomic Fe-Co sites for efficient oxygen reduction and evolution reactions in wearable zinc-air batteries

Yiyan Wang et al.

Summary: This study developed a highly efficient strategy for preparing large-area flexible CNF films with excellent bifunctional catalytic performance, achieved optimal electronic properties for ORR and OER through abundant FeN3-CoN3 sites. The resulting ZAB not only has high specific power and cycling stability, but also the excellent mechanical properties of Fe1Co1-CNF make it suitable for manufacturing portable ZAB with deformability and stability.

NANO ENERGY (2021)

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Article Chemistry, Multidisciplinary

Quasi-Paired Pt Atomic Sites on Mo2C Promoting Selective Four-Electron Oxygen Reduction

Lei Zhang et al.

Summary: The study demonstrates that atomically dispersed Pt monomers strongly interacting on a Mo2C support can serve as a model catalyst for the four-electron ORR, achieving higher activity and selectivity through beneficial interactions between two closely neighboring but non-contiguous Pt single atom sites (quasi-paired Pt single atoms).

ADVANCED SCIENCE (2021)

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Article Chemistry, Physical

Wood Carbon Based Single-Atom Catalyst for Rechargeable Zn-Air Batteries

Linxin Zhong et al.

Summary: This study achieved in situ formation of single-atom Fe-N-C catalysts on plate wood-based porous carbon through a facile Lewis acid pretreatment and carbonization process, improving the performance and durability of oxygen reduction reaction and oxygen evolution reaction. The Zn-air battery using this catalyst exhibited high power density and long-term stability.

ACS ENERGY LETTERS (2021)

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Article Energy & Fuels

Pt/Fe2O3 with Pt-Fe pair sites as a catalyst for oxygen reduction with ultralow Pt loading

Ruijie Gao et al.

Summary: The study focuses on loading platinum onto α-Fe2O3 to create a highly active and stable catalyst with dispersed Pt-Fe pair sites, which exhibits excellent catalytic performance and cycling stability in alkaline conditions.

NATURE ENERGY (2021)

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Article Chemistry, Physical

Understanding the inter-site distance effect in single-atom catalysts for oxygen electroreduction

Zhaoyu Jin et al.

Summary: Regulating the site density of single-atom catalysts can significantly improve electrocatalysis performance, such as the oxygen reduction reaction. Strong interactions between adjacent Fe-N-4 moieties can enhance intrinsic ORR activity, with a marked improvement continuing until neighbouring Fe atoms approach as close as about 0.7 nm. Identifying the fundamental mechanism of the inter-site distance effect in Fe-N-4 catalysts may maximize the potential of densely populated SACs.

NATURE CATALYSIS (2021)

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Article Chemistry, Physical

Analysis of the limitations in the oxygen reduction activity of transition metal oxide surfaces

Hao Li et al.

Summary: The oxygen reduction reaction (ORR) is crucial for fuel cell performance, with TMOs offering operational stability but lower activity compared to Pt-based electrocatalysts. The challenges in finding TMOs with high ORR activity lie in weaker oxygen binding on TMO surfaces and stronger electric field effects, making O-O bond breaking difficult. Experimental screening of 7,798 unique TMO compositions confirmed their lower activity compared to Pt.

NATURE CATALYSIS (2021)

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Article Chemistry, Physical

Theory-guided design of atomic Fe-Ni dual sites in N,P-co-doped C for boosting oxygen evolution reaction

Fenghongkang Pan et al.

Summary: This study reports a carbon-based catalyst design strategy using diatomic Fe-Ni and N, P co-doping to promote the rate-determining step of OOH* formation in the oxygen evolution reaction. The stable diatomic Fe-Ni catalyst is precisely constructed through the pyrolysis of Fe3+/Ni2+-adsorbed ZIF-8 under NaH2PO2 cofeeding.

CHEM CATALYSIS (2021)

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Article Chemistry, Physical

Unravelling the origin of bifunctional OER/ORR activity for single-atom catalysts supported on C2N by DFT and machine learning

Yiran Ying et al.

Summary: This study showcases the promising bifunctional OER/ORR catalytic performance of single-atom catalysts supported on the C2N monolayer, with Rh@C2N, Au, and Pd@C2N demonstrating superior activity. The origin of this catalytic activity is revealed through DFT calculations and ML modelling, shedding light on the underlying mechanisms and element-specific activity.

JOURNAL OF MATERIALS CHEMISTRY A (2021)

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Review Chemistry, Multidisciplinary

Non-carbon-supported single-atom site catalysts for electrocatalysis

Xiaobo Zheng et al.

Summary: This review comprehensively summarizes the recent exciting progress on non-carbon-supported SACs and their applications in electrocatalytic reactions. Eight types of non-carbon-supported SACs are categorized to show their diversity, with detailed analysis of the anchoring and stabilization mechanisms. Advanced characterization techniques for identifying and monitoring the atomic structure of SACs are highlighted, along with discussions on their applications in electrochemical energy conversion.

ENERGY & ENVIRONMENTAL SCIENCE (2021)

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Article Chemistry, Physical

A universal screening strategy for the accelerated design of superior oxygen evolution/reduction electrocatalysts

Dong Yeon Kim et al.

Summary: Despite the challenges of intercorrelation between reaction intermediates in multi-step reactions, a universal computational screening strategy has been devised to accelerate the prediction of theoretical overpotential for the Oxygen Evolution/Reduction Reaction. This strategy effectively reduces computing time by skipping costly calculations and has been validated with promising results for various candidate materials.

JOURNAL OF MATERIALS CHEMISTRY A (2021)

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Article Chemistry, Physical

Mo2B2 MBene-supported single-atom catalysts as bifunctional HER/OER and OER/ORR electrocatalysts

Tian Zhang et al.

Summary: This study investigated the catalytic activity of Mo2B2 MBene-supported single-atom catalysts for the oxygen evolution reaction, oxygen reduction reaction, and hydrogen evolution reaction. Transition metal atoms embedded in the structure showed potential as bifunctional electrocatalysts with promising applications.

JOURNAL OF MATERIALS CHEMISTRY A (2021)

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Article Chemistry, Physical

Mo2B2 MBene-supported single-atom catalysts as bifunctional HER/OER and OER/ORR electrocatalysts

Tian Zhang et al.

Summary: By conducting first-principles calculations, this study investigated the catalytic activities of Mo2B2 MBene-supported single-atom catalysts for OER, ORR, and HER. The results show that Ni@Mo2B2 can be a bifunctional catalyst for HER/OER, while Cu@Mo2B2 can serve as a bifunctional catalyst for OER/ORR, suggesting a potential avenue for the development of non-noble-metal-based bifunctional MBene electrocatalysts.

JOURNAL OF MATERIALS CHEMISTRY A (2021)

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Article Chemistry, Multidisciplinary

A General Strategy to Atomically Dispersed Precious Metal Catalysts for Unravelling Their Catalytic Trends for Oxygen Reduction Reaction

Jae Hyung Kim et al.

ACS NANO (2020)

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Article Chemistry, Multidisciplinary

A General Method for Transition Metal Single Atoms Anchored on Honeycomb-Like Nitrogen-Doped Carbon Nanosheets

Xiaoyan Zhang et al.

ADVANCED MATERIALS (2020)

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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)

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Article Chemistry, Multidisciplinary

Boosting Oxygen Reduction of Single Iron Active Sites via Geometric and Electronic Engineering: Nitrogen and Phosphorus Dual Coordination

Kai Yuan et al.

JOURNAL OF THE AMERICAN CHEMICAL SOCIETY (2020)

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Article Chemistry, Multidisciplinary

Active-Site Modulation in an Fe-Porphyrin-Based Metal-Organic Framework through Ligand Axial Coordination: Accelerating Electrocatalysis and Charge-Transport Kinetics

Itamar Liberman et al.

JOURNAL OF THE AMERICAN CHEMICAL SOCIETY (2020)

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Article Chemistry, Physical

Impact of the Coordination Environment on Atomically Dispersed Pt Catalysts for Oxygen Reduction Reaction

Siwei Li et al.

ACS CATALYSIS (2020)

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Article Chemistry, Physical

Stabilizing Single-Atom Iron Electrocatalysts for Oxygen Reduction via Ceria Confining and Trapping

Jin-Cheng Li et al.

ACS CATALYSIS (2020)

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Article Chemistry, Physical

Engineering Local and Global Structures of Single Co Atoms for a Superior Oxygen Reduction Reaction

Xiao Hai et al.

ACS CATALYSIS (2020)

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Article Chemistry, Physical

Sequential Synthesis and Active-Site Coordination Principle of Precious Metal Single-Atom Catalysts for Oxygen Reduction Reaction and PEM Fuel Cells

Qingtao Liu et al.

ADVANCED ENERGY MATERIALS (2020)

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Article Chemistry, Physical

Stabilizing mechanism of single-atom catalysts on a defective carbon surface

Lianping Wu et al.

NPJ COMPUTATIONAL MATERIALS (2020)

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Article Chemistry, Multidisciplinary

Dual Single-Atomic Ni-N4and Fe-N4Sites Constructing Janus Hollow Graphene for Selective Oxygen Electrocatalysis

Jiangyue Chen et al.

ADVANCED MATERIALS (2020)

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Article Chemistry, Multidisciplinary

Negative Pressure Pyrolysis Induced Highly Accessible Single Sites Dispersed on 3D Graphene Frameworks for Enhanced Oxygen Reduction

Huang Zhou et al.

ANGEWANDTE CHEMIE-INTERNATIONAL EDITION (2020)

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Article Chemistry, Multidisciplinary

Dynamic Evolution of Solid-Liquid Electrochemical Interfaces over Single-Atom Active Sites

Hui Su et al.

JOURNAL OF THE AMERICAN CHEMICAL SOCIETY (2020)

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Article Chemistry, Multidisciplinary

Ru Single Atoms on N-Doped Carbon by Spatial Confinement and Ionic Substitution Strategies for High-Performance Li-O2 Batteries

Xiaolin Hu et al.

JOURNAL OF THE AMERICAN CHEMICAL SOCIETY (2020)

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Review Chemistry, Multidisciplinary

Beyond Extended Surfaces: Understanding the Oxygen Reduction Reaction on Nanocatalysts

Zeyan Liu et al.

JOURNAL OF THE AMERICAN CHEMICAL SOCIETY (2020)

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Article Multidisciplinary Sciences

Iron phthalocyanine with coordination induced electronic localization to boost oxygen reduction reaction

Kejun Chen et al.

NATURE COMMUNICATIONS (2020)

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Review Chemistry, Physical

Recent Advances in the Development of Single-Atom Catalysts for Oxygen Electrocatalysis and Zinc-Air Batteries

Lishan Peng et al.

ADVANCED ENERGY MATERIALS (2020)

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Article Chemistry, Physical

Atomically Dispersed Cobalt Trifunctional Electrocatalysts with Tailored Coordination Environment for Flexible Rechargeable Zn-Air Battery and Self-Driven Water Splitting

Zheye Zhang et al.

ADVANCED ENERGY MATERIALS (2020)

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Article Chemistry, Multidisciplinary

Preferentially Engineering FeN4 Edge Sites onto Graphitic Nanosheets for Highly Active and Durable Oxygen Electrocatalysis in Rechargeable Zn-Air Batteries

Meiling Xiao et al.

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