☆ 4.8 Review

Tuning the Coordination Environment of Carbon-Based Single-Atom Catalysts via Doping with Multiple Heteroatoms and Their Applications in Electrocatalysis

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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)

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Article Chemistry, Physical

N and O multi-coordinated vanadium single atom with enhanced oxygen reduction activity

Ling Cheng et al.

Summary: Recently, atomically dispersed transition-metal single atom in nitrogen-doped carbon matrix as electro-catalysts has attracted general interest. A novel method was developed to prepare the N and O co-coordinated vanadium single atom (V-N1O4) embedded in the carbon matrix, showing superior electrocatalytic activity.

JOURNAL OF COLLOID AND INTERFACE SCIENCE (2021)

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Article Chemistry, Multidisciplinary

Modulating Coordination Environment of Single-Atom Catalysts and Their Proximity to Photosensitive Units for Boosting MOF Photocatalysis

Xing Ma et al.

Summary: A general and facile strategy for the construction of high-loading single-atom catalysts with a tunable coordination microenvironment has been developed based on metal-organic frameworks. The well-accessible and atomically dispersed metal sites possess close proximity to photosensitive units, greatly accelerating charge transfer and promoting photocatalysis. The optimized Ni-1-S/MOF with a unique Ni(I) microenvironment presents excellent photocatalytic H-2 production activity, surpassing other counterparts.

JOURNAL OF THE AMERICAN CHEMICAL SOCIETY (2021)

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Article Chemistry, Physical

Atomic Co/Ni dual sites with N/P-coordination as bifunctional oxygen electrocatalyst for rechargeable zinc-air batteries

Botao Hu et al.

Summary: The construction of dual atomic site catalysts via doping heteroatoms plays an important role in the adsorption and activation of oxygen intermediates, exhibiting excellent electrocatalytic performance.

NANO RESEARCH (2021)

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Article Chemistry, Multidisciplinary

Can N, S Cocoordination Promote Single Atom Catalyst Performance in CO2RR? Fe-N2S2 Porphyrin versus Fe-N4 Porphyrin

Shoufu Cao et al.

Summary: This study demonstrates that N, S coordination may provide a better catalytic environment for single atom catalysts than regular N coordination, making Fe-N2S2 porphyrin a high-performance CO2RR catalyst.

SMALL (2021)

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Review Nanoscience & Nanotechnology

Engineering the Coordination Sphere of Isolated Active Sites to Explore the Intrinsic Activity in Single-Atom Catalysts

Xin Wu et al.

Summary: Reducing metallic nanoparticles to single isolated atoms has garnered significant attention in heterogeneous catalysis for its potential to enhance atomic utilization and catalytic performance. The local coordination environment of single atoms plays a crucial role in their electronic structures and catalytic behaviors. Future research should focus on engineering the coordination spheres of single-atom catalysts to fine-tune their catalytic activities.

NANO-MICRO LETTERS (2021)

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Review Chemistry, Physical

Designed Synthesis and Catalytic Mechanisms of Non-Precious Metal Single-Atom Catalysts for Oxygen Reduction Reaction

Miaomiao Tong et al.

Summary: This review summarizes the recent advances in synthetic strategies for single-atom catalysts, discussing the impact of various coordination environments on the intrinsic ORR activity of catalysts and clarifying electrocatalytic mechanisms through density functional theory calculations and advanced characterization technologies.

SMALL METHODS (2021)

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Review Chemistry, Physical

Atomically Structural Regulations of Carbon-Based Single-Atom Catalysts for Electrochemical CO2 Reduction

Shu-Guo Han et al.

Summary: Carbon-based single-atom catalysts (SACs) have shown significant potential for electrochemical carbon dioxide reduction reaction (CO2RR) by regulating the coordination structures of metal centers and the microenvironments of substrates. This review summarizes recent advances in synthetic strategies and the structure-performance relationship of SACs towards CO2RR, highlighting the challenges and research directions for SACs in the future.

SMALL METHODS (2021)

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Article Chemistry, Physical

The twinned Pd nanocatalyst exhibits sustainable NRR electrocatalytic performance by promoting the desorption of NH3

Wenwen Cai et al.

Summary: The Pd icosahedron with twin structure shows excellent performance in NRR, enhancing the desorption of NH3 and maintaining remarkable catalytic activity and stability.

JOURNAL OF MATERIALS CHEMISTRY A (2021)

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Article Chemistry, Physical

Molecular engineered palladium single atom catalysts with an M-C1N3 subunit for Suzuki coupling

Jia Liu et al.

Summary: Single atom catalysis is a powerful technique for catalysis, but the unpredictable nature of the single atom environment due to pyrolysis process affects its performance. Through a molecular engineering approach, Pd-N3C1-SAC with a pre-defined coordinating environment shows higher activity and efficiency compared to traditional SACs.

JOURNAL OF MATERIALS CHEMISTRY A (2021)

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Article Chemistry, Physical

Single atom catalysts for boosting electrocatalytic and photoelectrocatalytic performances

Shijun Tong et al.

Summary: The novel single platinum atom catalyst, anchored through a partial nitridation modification strategy, shows excellent water splitting activity and has the potential to enhance the performance of both EC and PEC water splitting.

JOURNAL OF MATERIALS CHEMISTRY A (2021)

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Article Chemistry, Physical

Coordination tunes the activity and selectivity of the nitrogen reduction reaction on single-atom iron catalysts: a computational study

Dongxu Jiao et al.

Summary: The coordination structure of Fe-N-C catalyst greatly impacts its catalytic activity towards the nitrogen reduction reaction (NRR), with Fe-B2N2 showing the lowest limiting potential among all B-doped catalysts. Introducing B coordination effectively modulates the interaction of the single Fe atom with N2H* species, enhancing its NRR catalytic performance. Notably, Fe-B2N2 exhibits high NRR selectivity by suppressing the competing hydrogen evolution reaction (HER) both thermodynamically and kinetically.

JOURNAL OF MATERIALS CHEMISTRY A (2021)

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Article Chemistry, Multidisciplinary

Coordination environment engineering on nickel single-atom catalysts for CO2 electroreduction

Mengbo Ma et al.

Summary: Coordination engineering has been proposed as a promising strategy to enhance the activity of single atom catalysts in electrocatalytic CO2 reduction reactions. By systematically studying the effects of coordination environment regulation on the CO2RR activity of Ni SACs on co-doped graphene, it was found that the coordination environments strongly affect adsorption and reaction characteristics. The results suggest that B, Ni as dual active centers can tune the adsorption of CO2RR intermediates, leading to a weakened linear scaling relationship between *COOH and *CO.

NANOSCALE (2021)

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Article Chemistry, Multidisciplinary

Compositional Control as the Key for Achieving Highly Efficient OER Electrocatalysis with Cobalt Phosphates Decorated Nanocarbon Florets

Jayeeta Saha et al.

SMALL (2020)

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Article Chemistry, Physical

Relative Efficacy of Co-X4 Embedded Graphene (X=N, S, B, and P) Electrocatalysts towards Hydrogen Evolution Reaction: Is Nitrogen Really the Best Choice?

Chunjin Ren et al.

CHEMCATCHEM (2020)

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Review Chemistry, Multidisciplinary

Nitrogen-Doped Carbon Nanomaterials: Synthesis, Characteristics and Applications

In-Yup Jeon et al.

CHEMISTRY-AN ASIAN JOURNAL (2020)

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Article Chemistry, Multidisciplinary

Regulating the Coordination Environment of MOF-Templated Single-Atom Nickel Electrocatalysts for Boosting CO2 Reduction

Yun-Nan Gong 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 Materials Science, Multidisciplinary

Supramolecular confinement of single Cu atoms in hydrogel frameworks for oxygen reduction electrocatalysis with high atom utilization

Panpan Li et al.

MATERIALS TODAY (2020)

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Article Chemistry, Multidisciplinary

Enabling Direct H2O2 Production in Acidic Media through Rational Design of Transition Metal Single Atom Catalyst

Jiajian Gao et al.

CHEM (2020)

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Article Nanoscience & Nanotechnology

Graphene-Supported Single Nickel Atom Catalyst for Highly Selective and Efficient Hydrogen Peroxide Production

Xiaozhe Song et al.

ACS APPLIED MATERIALS & INTERFACES (2020)

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Article Chemistry, Multidisciplinary

Efficient Nitrate Synthesis via Ambient Nitrogen Oxidation with Ru-Doped TiO2/RuO2 Electrocatalysts

Min Kuang et al.

ADVANCED MATERIALS (2020)

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Article Chemistry, Multidisciplinary

High-Efficiency Oxygen Reduction to Hydrogen Peroxide Catalyzed by Nickel Single-Atom Catalysts with Tetradentate N2O2 Coordination in a Three-Phase Flow Cell

Yulin Wang et al.

ANGEWANDTE CHEMIE-INTERNATIONAL EDITION (2020)

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Article Chemistry, Multidisciplinary

Coordination Tunes Selectivity: Two-Electron Oxygen Reduction on High-Loading Molybdenum Single-Atom Catalysts

Cheng Tang et al.

ANGEWANDTE CHEMIE-INTERNATIONAL EDITION (2020)

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Article Chemistry, Multidisciplinary

High-Valence Nickel Single-Atom Catalysts Coordinated to Oxygen Sites for Extraordinarily Activating Oxygen Evolution Reaction

Yaguang Li et al.

ADVANCED SCIENCE (2020)

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Review Chemistry, Multidisciplinary

Improving the Catalytic Activity of Carbon-Supported Single Atom Catalysts by Polynary Metal or Heteroatom Doping

Mengmeng Fan et al.

SMALL (2020)

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Article Multidisciplinary Sciences

Dynamic active-site generation of atomic iridium stabilized on nanoporous metal phosphides for water oxidation

Kang Jiang et al.

NATURE COMMUNICATIONS (2020)

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Article Chemistry, Multidisciplinary

In Situ Phosphatizing of Triphenylphosphine Encapsulated within Metal-Organic Frameworks to Design Atomic Co1-P1N3 Interfacial Structure for Promoting Catalytic Performance

Jiawei Wan et al.

JOURNAL OF THE AMERICAN CHEMICAL SOCIETY (2020)

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Review Chemistry, Multidisciplinary

Heterogeneous Single-Atom Catalysts for Electrochemical CO2Reduction Reaction

Minhan Li et al.

ADVANCED MATERIALS (2020)

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Article Chemistry, Multidisciplinary

Cross-Linked Polyphosphazene Hollow Nanosphere-Derived N/P-Doped Porous Carbon with Single Nonprecious Metal Atoms for the Oxygen Reduction Reaction

Xuan Wei et al.

ANGEWANDTE CHEMIE-INTERNATIONAL EDITION (2020)

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Article Chemistry, Physical

Activity-Stability Relationship in Au@Pt Nanoparticles for Electrocatalysis

Dong Young Chung et al.

ACS ENERGY LETTERS (2020)

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Article Chemistry, Multidisciplinary

Revealing Isolated M-N3C1Active Sites for Efficient Collaborative Oxygen Reduction Catalysis

Feng Li et al.

ANGEWANDTE CHEMIE-INTERNATIONAL EDITION (2020)

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Article Chemistry, Multidisciplinary

Engineering of Coordination Environment and Multiscale Structure in Single-Site Copper Catalyst for Superior Electrocatalytic Oxygen Reduction

Tingting Sun et al.

NANO LETTERS (2020)

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Article Physics, Applied

Ionic Exchange: Ionic Exchange of Metal−Organic Frameworks for Constructing Unsaturated Copper Single‐Atom Catalysts for Boosting Oxygen Reduction Reaction (Small 23/2020)

Shenghua Ma et al.

Small (2020)

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Article Multidisciplinary Sciences

Engineering unsymmetrically coordinated Cu-S1N3 single atom sites with enhanced oxygen reduction activity

Huishan Shang et al.

NATURE COMMUNICATIONS (2020)

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Review Chemistry, Multidisciplinary

Recent Advances in Phosphorus-Coordinated Transition Metal Single-Atom Catalysts for Oxygen Reduction Reaction

Fengzhi Ning et al.

CHEMNANOMAT (2020)

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Review Multidisciplinary Sciences

Microenvironment modulation of single-atom catalysts and their roles in electrochemical energy conversion

Xuning Li et al.

SCIENCE ADVANCES (2020)

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Article Chemistry, Multidisciplinary

Single-atom catalysts for the oxygen evolution reaction: recent developments and future perspectives

Woong Hee Lee et al.

CHEMICAL COMMUNICATIONS (2020)

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Review Chemistry, Physical

Modulation strategies of Cu-based electrocatalysts for efficient nitrogen reduction

Hangyan Zhou et al.

JOURNAL OF MATERIALS CHEMISTRY A (2020)

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Review Chemistry, Multidisciplinary

Electronic Metal-Support Interaction of Single-Atom Catalysts and Applications in Electrocatalysis

Jiarui Yang et al.

ADVANCED MATERIALS (2020)

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Article Chemistry, Physical

Design of hierarchical, three-dimensional free-standing single-atom electrode for H2O2 production in acidic media

Jincheng Zhang et al.

CARBON ENERGY (2020)

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Article Chemistry, Multidisciplinary

Engineering a metal-organic framework derived Mn-N4-CxSyatomic interface for highly efficient oxygen reduction reaction

Huishan Shang et al.

CHEMICAL SCIENCE (2020)

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Article Chemistry, Physical

Directly predicting limiting potentials from easily obtainable physical properties of graphene-supported single-atom electrocatalysts by machine learning

Shiru Lin et al.

JOURNAL OF MATERIALS CHEMISTRY A (2020)

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Article Chemistry, Multidisciplinary

High-purity pyrrole-type FeN4 sites as a superior oxygen reduction electrocatalyst

Nan Zhang et al.

ENERGY & ENVIRONMENTAL SCIENCE (2020)

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Review Chemistry, Physical

Recent advances in ruthenium-based electrocatalysts for the hydrogen evolution reaction

Seo-Yoon Bae et al.

NANOSCALE HORIZONS (2020)

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Article Multidisciplinary Sciences

Atomically dispersed nickel-nitrogen-sulfur species anchored on porous carbon nanosheets for efficient water oxidation

Yang Hou et al.

NATURE COMMUNICATIONS (2019)

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Article Chemistry, Multidisciplinary

Atom-by-Atom Resolution of Structure-Function Relations over Low-Nuclearity Metal Catalysts

Evgeniya Vorobyeva et al.

ANGEWANDTE CHEMIE-INTERNATIONAL EDITION (2019)

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Article Chemistry, Multidisciplinary

Single Fe Atom on Hierarchically Porous S, N-Codoped Nanocarbon Derived from Porphyra Enable Boosted Oxygen Catalysis for Rechargeable Zn-Air Batteries

Jiting Zhang et al.

SMALL (2019)

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Article Chemistry, Multidisciplinary

Single-Atom Cr-N4 Sites Designed for Durable Oxygen Reduction Catalysis in Acid Media

Ergui Luo et al.

ANGEWANDTE CHEMIE-INTERNATIONAL EDITION (2019)

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Article Multidisciplinary Sciences

Identifying the structure of Zn-N2 active sites and structural activation

Feng Li et al.

NATURE COMMUNICATIONS (2019)

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Article Multidisciplinary Sciences

Manganese acting as a high-performance heterogeneous electrocatalyst in carbon dioxide reduction

Bingxing Zhang et al.

NATURE COMMUNICATIONS (2019)

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Article Chemistry, Physical

Fabrication of an all-solid-state Zn-air battery using electroplated Zn on carbon paper and KOH-ZrO2 solid electrolyte

Wai Kian Tan et al.

APPLIED SURFACE SCIENCE (2019)

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Article Multidisciplinary Sciences

A pyrolysis-free path toward superiorly catalytic nitrogen-coordinated single atom

Peng Peng et al.

SCIENCE ADVANCES (2019)

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Article Chemistry, Multidisciplinary

Heteroatom-Mediated Interactions between Ruthenium Single Atoms and an MXene Support for Efficient Hydrogen Evolution

Vinoth Ramalingam et al.

ADVANCED MATERIALS (2019)

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Article Chemistry, Physical

Doping sp-hybridized B atoms in graphyne supported single cobalt atoms for hydrogen evolution electrocatalysis

Xiaoping Gao et al.

INTERNATIONAL JOURNAL OF HYDROGEN ENERGY (2019)

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Article Chemistry, Multidisciplinary

Cu3N Nanocubes for Selective Electrochemical Reduction of CO2 to Ethylene

Zhouyang Yin et al.

NANO LETTERS (2019)

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Article Chemistry, Multidisciplinary

Promoting Electrocatalysis upon Aerogels

Bin Cai et al.

ADVANCED MATERIALS (2019)

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Article Chemistry, Multidisciplinary

Carbon-Based Metal-Free Catalysts for Electrocatalytic Reduction of Nitrogen for Synthesis of Ammonia at Ambient Conditions

Shenlong Zhao et al.

ADVANCED MATERIALS (2019)

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Article Chemistry, Multidisciplinary

Tuning the Coordination Environment in Single-Atom Catalysts to Achieve Highly Efficient Oxygen Reduction Reactions

Jinqiang Zhang et al.

JOURNAL OF THE AMERICAN CHEMICAL SOCIETY (2019)

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Article Nanoscience & Nanotechnology

Insight into the Superior Electrocatalytic Performance of a Ternary Nickel Iron Poly-Phosphide Nanosheet Array: An X-ray Absorption Study

Xiaodeng Wang et al.

ACS APPLIED MATERIALS & INTERFACES (2019)

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Article Chemistry, Physical

Single-atomic-site cobalt stabilized on nitrogen and phosphorus co-doped carbon for selective oxidation of primary alcohols

Shufang Ji et al.

NANOSCALE HORIZONS (2019)

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Article Chemistry, Multidisciplinary

Controlling the speciation and reactivity of carbon-supported gold nanostructures for catalysed acetylene hydrochlorination

Selina K. Kaiser et al.

CHEMICAL SCIENCE (2019)

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Article Chemistry, Physical

One-pot synthesis of bi-metallic PdRu tripods as an efficient catalyst for electrocatalytic nitrogen reduction to ammonia

Hongjing Wang et al.

JOURNAL OF MATERIALS CHEMISTRY A (2019)

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Article Chemistry, Physical

Modulating the d-band center of boron doped single-atom sites to boost the oxygen reduction reaction

He Sun et al.

JOURNAL OF MATERIALS CHEMISTRY A (2019)

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Article Materials Science, Multidisciplinary

Tailoring Electronic Structure of Atomically Dispersed Metal-N3S1 Active Sites for Highly Efficient Oxygen Reduction Catalysis

Pengzuo Chen et al.

ACS MATERIALS LETTERS (2019)

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Article Chemistry, Multidisciplinary

Carbon Nanosheets Containing Discrete Co-N-x-B-y-C Active Sites for Efficient Oxygen Electrocatalysis and Rechargeable Zn-Air Batteries

Yingying Guo et al.

ACS NANO (2018)

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Article Chemistry, Multidisciplinary

O-, N-Atoms-Coordinated Mn Cofactors within a Graphene Framework as Bioinspired Oxygen Reduction Reaction Electrocatalysts

Yang Yang et al.

ADVANCED MATERIALS (2018)

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Review Chemistry, Multidisciplinary

Cu-based nanocatalysts for electrochemical reduction of CO2

Huan Xie et al.

NANO TODAY (2018)

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Review Electrochemistry

Single-Atom Catalysts for the Hydrogen Evolution Reaction

Haoxuan Liu et al.

CHEMELECTROCHEM (2018)

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Article Chemistry, Physical

Synergetic Contribution of Boron and Fe-N-x Species in Porous Carbons toward Efficient Electrocatalysts for Oxygen Reduction Reaction

Kai Yuan et al.

ACS ENERGY LETTERS (2018)

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Article Chemistry, Physical

Single-Atom Catalysts for Electrochemical Water Splitting

Chengzhou Zhu et al.

ACS ENERGY LETTERS (2018)

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Article Multidisciplinary Sciences

Dynamic traction of lattice-confined platinum atoms into mesoporous carbon matrix for hydrogen evolution reaction

Huabin Zhang et al.

SCIENCE ADVANCES (2018)

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Review Chemistry, Physical

Synergistic Supports Beyond Carbon Black for Polymer Electrolyte Fuel Cell Anodes

Yiyin Huang et al.

CHEMCATCHEM (2018)

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Article Multidisciplinary Sciences

Enhanced oxygen reduction with single-atomic-site iron catalysts for a zinc-air battery and hydrogen-air fuel cell

Yuanjun Chen et al.

NATURE COMMUNICATIONS (2018)

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Article Chemistry, Physical

A universal principle for a rational design of single-atom electrocatalysts

Haoxiang Xu et al.

NATURE CATALYSIS (2018)

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Review Chemistry, Physical

Electrocatalytic Nitrogen Reduction at Low Temperature

Jiao Deng et al.

JOULE (2018)

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Article Chemistry, Multidisciplinary

Atomically Dispersed Iron-Nitrogen Species as Electrocatalysts for Bifunctional Oxygen Evolution and Reduction Reactions

Pengzuo Chen et al.

ANGEWANDTE CHEMIE-INTERNATIONAL EDITION (2017)

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Article Chemistry, Physical

Catalysis by Supported Single Metal Atoms

Jingyue Liu

ACS CATALYSIS (2017)

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Review Chemistry, Multidisciplinary

Single-Atom Electrocatalysts

Chengzhou Zhu et al.

ANGEWANDTE CHEMIE-INTERNATIONAL EDITION (2017)

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Review Chemistry, Multidisciplinary

Recent Advances in Electrocatalysts for Oxygen Reduction Reaction

Minhua Shao et al.

CHEMICAL REVIEWS (2016)

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Article Multidisciplinary Sciences

Ultrafine jagged platinum nanowires enable ultrahigh mass activity for the oxygen reduction reaction

Mufan Li et al.

SCIENCE (2016)

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Article Chemistry, Physical

Insight into Electrocatalysts as Co-catalysts in Efficient Photocatalytic Hydrogen Evolution

Wentuan Bi et al.

ACS CATALYSIS (2016)

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Review Chemistry, Physical

Advanced Electron Microscopy of Metal-Support Interactions in Supported Metal Catalysts

Jingyue (Jimmy) Liu

CHEMCATCHEM (2011)

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