Two‐Dimensional Organometallic Frameworks with Pyridinic Single‐Metal‐Atom Sites for Bifunctional ORR/OER

Pseudo-adsorption and long-range redox coupling during oxygen reduction reaction on single atom electrocatalyst

(2022) Jie-Wei Chen et al.   Nature Communications

Conductive Metallophthalocyanine Framework Films with High Carrier Mobility as Efficient Chemiresistors

(2021) Hong-Cai Zhou et al.   ANGEWANDTE CHEMIE-INTERNATIONAL EDITION

Electrocatalytic Refinery for Sustainable Production of Fuels and Chemicals

(2021) Cheng Tang et al.   ANGEWANDTE CHEMIE-INTERNATIONAL EDITION

2D Honeycomb‐Kagome Polymer Tandem as Effective Metal‐Free Photocatalysts for Water Splitting

(2021) Yu Jing et al.   ADVANCED MATERIALS

High-throughput screening of carbon-supported single metal atom catalysts for oxygen reduction reaction

(2021) Yiran Wang et al.   Nano Research

Doping‐Modulated Strain Enhancing the Phosphate Tolerance on PtFe Alloys for High‐Temperature Proton Exchange Membrane Fuel Cells

(2021) Wei Li et al.   ADVANCED FUNCTIONAL MATERIALS

Two-Dimensional Biphenylene: A Graphene Allotrope with Superior Activity toward Electrochemical Oxygen Reduction Reaction

(2021) Tianyang Liu et al.   Journal of Physical Chemistry Letters

Improving the Activity of Electrocatalysts toward the Hydrogen Evolution Reaction, the Oxygen Evolution Reaction, and the Oxygen Reduction Reaction via Modification of Metal and Ligand of Conductive Two-Dimensional Metal–Organic Frameworks

(2021) Yanan Zhou et al.   Journal of Physical Chemistry Letters

Acid-Stable and Active M–N–C Catalysts for the Oxygen Reduction Reaction: The Role of Local Structure

(2021) Tipaporn Patniboon et al.   ACS Catalysis

Unveiling the Active Structure of Single Nickel Atom Catalysis: Critical Roles of Charge Capacity and Hydrogen Bonding

(2020) Xunhua Zhao et al.   JOURNAL OF THE AMERICAN CHEMICAL SOCIETY

Novel 2D Transition‐Metal Carbides: Ultrahigh Performance Electrocatalysts for Overall Water Splitting and Oxygen Reduction

(2020) Yadong Yu et al.   ADVANCED FUNCTIONAL MATERIALS

A Stable and Conductive Metallophthalocyanine Framework for Electrocatalytic Carbon Dioxide Reduction in Water

(2020) Donglin Jiang et al.   ANGEWANDTE CHEMIE-INTERNATIONAL EDITION

Identification of Active Sites of Pure and Nitrogen-Doped Carbon Materials for Oxygen Reduction Reaction Using Constant-Potential Calculations

(2020) Zhiyao Duan et al.   Journal of Physical Chemistry C

Identifying Iron–Nitrogen/Carbon Active Structures for Oxygen Reduction Reaction under the Effect of Electrode Potential

(2020) Kun Mao et al.   Journal of Physical Chemistry Letters

Metastable Rock Salt Oxide-Mediated Synthesis of High-Density Dual-Protected M@NC for Long-Life Rechargeable Zinc–Air Batteries with Record Power Density

(2020) Tang Tang et al.   JOURNAL OF THE AMERICAN CHEMICAL SOCIETY

A pyridinic Fe-N4 macrocycle models the active sites in Fe/N-doped carbon electrocatalysts

(2020) Travis Marshall-Roth et al.   Nature Communications

Identification of durable and non-durable FeNx sites in Fe–N–C materials for proton exchange membrane fuel cells

(2020) Jingkun Li et al.   Nature Catalysis

Theoretical Resolution of the Exceptional Oxygen Reduction Activity of Au(100) in Alkaline Media

(2019) Zhiyao Duan et al.   ACS Catalysis

Benchmarking Anode Concepts: The Future of Electrically Rechargeable Zinc–Air Batteries

(2019) Daniel Stock et al.   ACS Energy Letters

Two-Dimensional Chemiresistive Covalent Organic Framework with High Intrinsic Conductivity

(2019) Zheng Meng et al.   JOURNAL OF THE AMERICAN CHEMICAL SOCIETY

Oxygen Evolution Reaction on 2D Ferromagnetic Fe 3 GeTe 2 : Boosting the Reactivity by the Self‐Reduction of Surface Hydroxyl

(2019) Yinghe Zhao et al.   ADVANCED FUNCTIONAL MATERIALS

Self-Adjusting Activity Induced by Intrinsic Reaction Intermediate in Fe–N–C Single-Atom Catalysts

(2019) Yu Wang et al.   JOURNAL OF THE AMERICAN CHEMICAL SOCIETY

Boosting defective carbon by anchoring well-defined atomically dispersed metal-N4 sites for ORR, OER, and Zn-air batteries

(2019) Wenzheng Cheng et al.   APPLIED CATALYSIS B-ENVIRONMENTAL

Implicit self-consistent electrolyte model in plane-wave density-functional theory

(2019) Kiran Mathew et al.   JOURNAL OF CHEMICAL PHYSICS

Understanding Catalytic Activity Trends in the Oxygen Reduction Reaction

(2018) Ambarish Kulkarni et al.   CHEMICAL REVIEWS

Boosting oxygen reduction catalysis with abundant copper single atom active sites

(2018) Feng Li et al.   Energy & Environmental Science

Substantial Impact of Charge on Electrochemical Reactions of Two-Dimensional Materials

(2018) Donghoon Kim et al.   JOURNAL OF THE AMERICAN CHEMICAL SOCIETY

Explanation of Dramatic pH-Dependence of Hydrogen Binding on Noble Metal Electrode: Greatly Weakened Water Adsorption at High pH

(2018) Tao Cheng et al.   JOURNAL OF THE AMERICAN CHEMICAL SOCIETY

Reticular Electronic Tuning of Porphyrin Active Sites in Covalent Organic Frameworks for Electrocatalytic Carbon Dioxide Reduction

(2018) Christian S. Diercks et al.   JOURNAL OF THE AMERICAN CHEMICAL SOCIETY

Synergy between Fe and Ni in the optimal performance of (Ni,Fe)OOH catalysts for the oxygen evolution reaction

(2018) Hai Xiao et al.   PROCEEDINGS OF THE NATIONAL ACADEMY OF SCIENCES OF THE UNITED STATES OF AMERICA

The recent progress and future of oxygen reduction reaction catalysis: A review

(2017) John Stacy et al.   RENEWABLE & SUSTAINABLE ENERGY REVIEWS

Combining theory and experiment in electrocatalysis: Insights into materials design

(2017) Zhi Wei Seh et al.   SCIENCE

Two-dimensional iron-porphyrin sheet as a promising catalyst for oxygen reduction reaction: a computational study

(2017) Gan Luo et al.   Science Bulletin

Supported Cobalt Polyphthalocyanine for High-Performance Electrocatalytic CO 2 Reduction

(2017) Na Han et al.   Chem

Iron polyphthalocyanine sheathed multiwalled carbon nanotubes: A high-performance electrocatalyst for oxygen reduction reaction

(2016) Xinxia Wang et al.   Nano Research

Recent advancements in Pt and Pt-free catalysts for oxygen reduction reaction

(2015) Yao Nie et al.   CHEMICAL SOCIETY REVIEWS

Two-dimensional iron-phthalocyanine (Fe-Pc) monolayer as a promising single-atom-catalyst for oxygen reduction reaction: a computational study

(2015) Yu Wang et al.   Nanoscale

In Situ Observation of Surface Species on Iridium Oxide Nanoparticles during the Oxygen Evolution Reaction

(2014) Hernan G. Sanchez Casalongue et al.   ANGEWANDTE CHEMIE-INTERNATIONAL EDITION

Implicit solvation model for density-functional study of nanocrystal surfaces and reaction pathways

(2014) Kiran Mathew et al.   JOURNAL OF CHEMICAL PHYSICS

Unifying Kinetic and Thermodynamic Analysis of 2 e– and 4 e– Reduction of Oxygen on Metal Surfaces

(2014) Heine A. Hansen et al.   Journal of Physical Chemistry C

Understanding Trends in the Electrocatalytic Activity of Metals and Enzymes for CO2 Reduction to CO

(2013) Heine A. Hansen et al.   Journal of Physical Chemistry Letters

Effect of the damping function in dispersion corrected density functional theory

(2011) Stefan Grimme et al.   JOURNAL OF COMPUTATIONAL CHEMISTRY