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

Determining the adsorption energies of small molecules with the intrinsic properties of adsorbates and substrates

(2020) Wang Gao et al.   Nature Communications

Recent Advances in Non‐Noble Bifunctional Oxygen Electrocatalysts toward Large‐Scale Production

(2020) Kai Zeng et al.   ADVANCED FUNCTIONAL MATERIALS

FeCo alloy/N, S dual-doped carbon composite as a high-performance bifunctional catalyst in an advanced rechargeable zinc-air battery

(2020) Shengming Chang et al.   Journal of Energy Chemistry

Computational Screening Single-Atom Catalysts Supported on g-CN for N2 Reduction: High Activity and Selectivity

(2020) Huan Niu et al.   ACS Sustainable Chemistry & Engineering

Theoretical Insights into the Mechanism of Selective Nitrate‐to‐Ammonia Electroreduction on Single‐Atom Catalysts

(2020) Huan Niu et al.   ADVANCED FUNCTIONAL MATERIALS

Acid Stability and Demetalation of PGM-Free ORR Electrocatalyst Structures from Density Functional Theory: A Model for “Single-Atom Catalyst” Dissolution

(2020) Edward F. Holby et al.   ACS Catalysis

Exploring single atom catalysts of transition-metal doped phosphorus carbide monolayer for HER: A first-principles study

(2020) Dachang Chen et al.   Journal of Energy Chemistry

TMN4 complex embedded graphene as bifunctional electrocatalysts for high efficiency OER/ORR

(2020) Zhe Xue et al.   Journal of Energy Chemistry

2D transition metal–TCNQ sheets as bifunctional single-atom catalysts for oxygen reduction and evolution reaction (ORR/OER)

(2019) Qingming Deng et al.   JOURNAL OF CATALYSIS

Ultrahigh-loading Zn Single-atom Catalyst for Highly Efficient Oxygen Reduction Reaction in both Acidic and Alkaline Media

(2019) Jia Li et al.   ANGEWANDTE CHEMIE-INTERNATIONAL EDITION

Framework‐Porphyrin‐Derived Single‐Atom Bifunctional Oxygen Electrocatalysts and their Applications in Zn–Air Batteries

(2019) Bo‐Quan Li et al.   ADVANCED MATERIALS

Building up a Picture of the Electrocatalytic Nitrogen Reduction Activity of Transition Metal Single Atom Catalysts

(2019) xin liu et al.   JOURNAL OF THE AMERICAN CHEMICAL SOCIETY

High-performance single atom bifunctional oxygen catalysts derived from ZIF-67 superstructures

(2019) Xueping Sun et al.   Nano Energy

Simultaneously Achieving High Activity and Selectivity towards Two-Electron O2 Electroreduction: the Power of Single-Atom Catalysts

(2019) Xiangyu Guo et al.   ACS Catalysis

Single-atom cobalt array bound to distorted 1T MoS2 with ensemble effect for hydrogen evolution catalysis

(2019) Kun Qi et al.   Nature Communications

Atomic Ru Immobilized on Porous h-BN through Simple Vacuum Filtration for Highly Active and Selective CO2 Methanation

(2019) Mengmeng Fan et al.   ACS Catalysis

Catalytic Mechanisms and Design Principles for Single‐Atom Catalysts in Highly Efficient CO 2 Conversion

(2019) Lele Gong et al.   Advanced Energy Materials

Activity Origin and Design Principles for Oxygen Reduction on Dual-Metal-Site Catalysts: A Combined Density Functional Theory and Machine Learning Study

(2019) Xiaorong Zhu et al.   Journal of Physical Chemistry Letters

Holey graphitic carbon nitride (g-CN) supported bifunctional single atom electrocatalysts for highly efficient overall water splitting

(2019) Xingshuai Lv et al.   APPLIED CATALYSIS B-ENVIRONMENTAL

Isolated Ni single atoms in graphene nanosheets for high-performance CO2 reduction

(2018) Kun Jiang et al.   Energy & Environmental Science

Batteries and fuel cells for emerging electric vehicle markets

(2018) Zachary P. Cano et al.   Nature Energy

Predicting a new class of metal-organic frameworks as efficient catalyst for bi-functional oxygen evolution/reduction reactions

(2018) Xin Mao et al.   JOURNAL OF CATALYSIS

Temperature-Controlled Selectivity of Hydrogenation and Hydrodeoxygenation in the Conversion of Biomass Molecule by the Ru1/mpg-C3N4 Catalyst

(2018) Shubo Tian et al.   JOURNAL OF THE AMERICAN CHEMICAL SOCIETY

A cocoon silk chemistry strategy to ultrathin N-doped carbon nanosheet with metal single-site catalysts

(2018) Youqi Zhu et al.   Nature Communications

Design of active nickel single-atom decorated MoS2 as a pH-universal catalyst for hydrogen evolution reaction

(2018) Qi Wang et al.   Nano Energy

Selective CO2 Reduction Catalyzed by Single Cobalt Sites on Carbon Nitride under Visible-Light Irradiation

(2018) Peipei Huang et al.   JOURNAL OF THE AMERICAN CHEMICAL SOCIETY

Nitrogen Fixation by Ru Single-Atom Electrocatalytic Reduction

(2018) Hengcong Tao et al.   Chem

Strengthening reactive metal-support interaction to stabilize high-density Pt single atoms on electron-deficient g-C3N4 for boosting photocatalytic H2 production

(2018) Peng Zhou et al.   Nano Energy

Molecule-Level g-C3N4 Coordinated Transition Metals as a New Class of Electrocatalysts for Oxygen Electrode Reactions

(2017) Yao Zheng et al.   JOURNAL OF THE AMERICAN CHEMICAL SOCIETY

Nanosheet Supported Single-Metal Atom Bifunctional Catalyst for Overall Water Splitting

(2017) Chongyi Ling et al.   NANO LETTERS

Cobalt boride modified with N-doped carbon nanotubes as a high-performance bifunctional oxygen electrocatalyst

(2017) Karina Elumeeva et al.   Journal of Materials Chemistry A

Single-Atom Pt as Co-Catalyst for Enhanced Photocatalytic H2 Evolution

(2016) Xiaogang Li et al.   ADVANCED MATERIALS

Design Principles for Heteroatom-Doped Carbon Nanomaterials as Highly Efficient Catalysts for Fuel Cells and Metal-Air Batteries

(2015) Zhenghang Zhao et al.   ADVANCED MATERIALS

From the Sabatier principle to a predictive theory of transition-metal heterogeneous catalysis

(2015) Andrew J. Medford et al.   JOURNAL OF CATALYSIS

A metal-free bifunctional electrocatalyst for oxygen reduction and oxygen evolution reactions

(2015) Jintao Zhang et al.   Nature Nanotechnology

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

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

Single-Atom Catalysts: A New Frontier in Heterogeneous Catalysis

(2013) Xiao-Feng Yang et al.   ACCOUNTS OF CHEMICAL RESEARCH

Universality in Oxygen Evolution Electrocatalysis on Oxide Surfaces

(2011) Isabela C. Man et al.   ChemCatChem

Single-atom catalysis of CO oxidation using Pt1/FeO x

(2011) Botao Qiao et al.   Nature Chemistry

The oxygen reduction reaction mechanism on Pt(111) from density functional theory calculations

(2010) Vladimir Tripković et al.   ELECTROCHIMICA ACTA

A grid-based Bader analysis algorithm without lattice bias

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