Theoretical investigation of HER/OER/ORR catalytic activity of single atom-decorated graphyne by DFT and comparative DOS analyses

Crystalline-amorphous interface of mesoporous Ni2P @ FePOxHy for oxygen evolution at high current density in alkaline-anion-exchange-membrane water-electrolyzer

(2022) Abhishek Meena et al.   APPLIED CATALYSIS B-ENVIRONMENTAL

Ruthenium Core–Shell Engineering with Nickel Single Atoms for Selective Oxygen Evolution via Nondestructive Mechanism

(2021) Ahmad M. Harzandi et al.   Advanced Energy Materials

High-throughput computational-experimental screening protocol for the discovery of bimetallic catalysts

(2021) Byung Chul Yeo et al.   npj Computational Materials

Late Transition Metal Doped MXenes Showing Superb Bifunctional Electrocatalytic Activities for Water Splitting via Distinctive Mechanistic Pathways

(2021) Rohit Anand et al.   Advanced Energy Materials

Nitrogen Doped γ‐Graphyne: A Novel Anode for High‐Capacity Rechargeable Alkali‐Ion Batteries

(2020) Chaofan Yang et al.   Small

Bifunctional HER/OER or OER/ORR Catalytic Activity of Two-Dimensional TM3(HITP)2 with TM = Fe–Zn

(2020) Junru Wang et al.   Journal of Physical Chemistry C

Tuning Single Atom Catalysts of Nitrogen-Coordinated Transition Metals for Optimizing Oxygen Evolution and Reduction Reactions

(2020) Mingyu Hu et al.   Journal of Physical Chemistry C

Graphdiyne: A Rising Star of Electrocatalyst Support for Energy Conversion

(2020) Bisheng Li et al.   Advanced Energy Materials

Immiscible bi-metal single-atoms driven synthesis of electrocatalysts having superb mass-activity and durability

(2020) Ahmad M. Harzandi et al.   APPLIED CATALYSIS B-ENVIRONMENTAL

Robust Hydroxyapatite Coating by Laser‐Induced Hydrothermal Synthesis

(2020) Seung‐Hoon Um et al.   ADVANCED FUNCTIONAL MATERIALS

Chromium Single-Atom Catalyst with Graphyne Support: A Theoretical Study of NO Oxidation and Reduction

(2020) Shamraiz Hussain Talib et al.   ACS Catalysis

Recent progress on single atom/sub-nano electrocatalysts for energy applications

(2020) Duy Thanh Tran et al.   PROGRESS IN MATERIALS SCIENCE

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

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

High‐Performance Hydrogen Evolution by Ru Single Atoms and Nitrided‐Ru Nanoparticles Implanted on N‐Doped Graphitic Sheet

(2019) Jitendra N. Tiwari et al.   Advanced Energy Materials

Activating Graphyne Nanosheet via sp-Hybridized Boron Modulation for Electrochemical Nitrogen Fixation

(2019) Qilong Liu et al.   INORGANIC CHEMISTRY

Graphyne doped with transition-metal single atoms as effective bifunctional electrocatalysts for water splitting

(2019) Xiaoping Gao et al.   APPLIED SURFACE SCIENCE

Theory-guided design of catalytic materials using scaling relationships and reactivity descriptors

(2019) Zhi-Jian Zhao et al.   Nature Reviews Materials

Catalyst: Single-Atom Catalysis: Directing the Way toward the Nature of Catalysis

(2019) Xuning Li et al.   Chem

Single cobalt atom anchored on N-doped graphyne for boosting the overall water splitting

(2019) Xiaoping Gao et al.   APPLIED SURFACE SCIENCE

Bifunctional CoN x embedded graphene electrocatalysts for OER and ORR: A theoretical evaluation

(2018) Xilin Zhang et al.   CARBON

In Silico Discovery of New Dopants for Fe-Doped Ni Oxyhydroxide (Ni1–xFexOOH) Catalysts for Oxygen Evolution Reaction

(2018) Hyeyoung Shin et al.   JOURNAL OF THE AMERICAN CHEMICAL SOCIETY

Transition metal anchored C2N monolayers as efficient bifunctional electrocatalysts for hydrogen and oxygen evolution reactions

(2018) Xu Zhang et al.   Journal of Materials Chemistry A

Single-atom catalysts by the atomic layer deposition technique

(2018) Lei Zhang et al.   National Science Review

Carbon-Supported Single Atom Catalysts for Electrochemical Energy Conversion and Storage

(2018) Yi Peng et al.   ADVANCED MATERIALS

Multicomponent electrocatalyst with ultralow Pt loading and high hydrogen evolution activity

(2018) Jitendra N. Tiwari et al.   Nature Energy

Graphdiyne-Supported Single-Atom-Sized Fe Catalysts for the Oxygen Reduction Reaction: DFT Predictions and Experimental Validations

(2018) Yuan Gao et al.   ACS Catalysis

DFT Study of the Oxygen Reduction Reaction on Carbon-Coated Iron and Iron Carbide

(2018) Mateusz Reda et al.   ACS Catalysis

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

N,B-codoped defect-rich graphitic carbon nanocages as high performance multifunctional electrocatalysts

(2017) Ziyang Lu et al.   Nano Energy

Single Cobalt Atoms with Precise N-Coordination as Superior Oxygen Reduction Reaction Catalysts

(2016) Peiqun Yin et al.   ANGEWANDTE CHEMIE-INTERNATIONAL EDITION

Graphyne as a promising substrate for the noble-metal single-atom catalysts

(2015) D.W. Ma et al.   CARBON

Carbon-Supported Pt-Based Alloy Electrocatalysts for the Oxygen Reduction Reaction in Polymer Electrolyte Membrane Fuel Cells: Particle Size, Shape, and Composition Manipulation and Their Impact to Activity

(2015) Yan-Jie Wang et al.   CHEMICAL REVIEWS

C and N Hybrid Coordination Derived Co–C–N Complex as a Highly Efficient Electrocatalyst for Hydrogen Evolution Reaction

(2015) Zhong-Li Wang et al.   JOURNAL OF THE AMERICAN CHEMICAL SOCIETY

Graphdiyne and graphyne: from theoretical predictions to practical construction

(2014) Yongjun Li et al.   CHEMICAL SOCIETY REVIEWS

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

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

Theoretical Investigation of the Activity of Cobalt Oxides for the Electrochemical Oxidation of Water

(2013) Michal Bajdich et al.   JOURNAL OF THE AMERICAN CHEMICAL SOCIETY

Synthesis and Activities of Rutile IrO2 and RuO2 Nanoparticles for Oxygen Evolution in Acid and Alkaline Solutions

(2012) Youngmin Lee et al.   Journal of Physical Chemistry Letters

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

Density functional theory in surface chemistry and catalysis

(2011) J. K. Norskov et al.   PROCEEDINGS OF THE NATIONAL ACADEMY OF SCIENCES OF THE UNITED STATES OF AMERICA

Palladium in fuel cell catalysis

(2009) Ermete Antolini   Energy & Environmental Science