Central metal and ligand effects on oxygen electrocatalysis over 3d transition metal single-atom catalysts: A theoretical investigation
Authors:
- Jinlong LiuJLJinlong Liu
- Juanxiu XiaoJXJuanxiu Xiao
- Bingcheng LuoBLBingcheng Luo
- Enke TianETEnke Tian
- Geoffrey I.N. WaterhouseGWGeoffrey I.N. Waterhouse
- 1 January 2022
- journal article
- research article
- Published by Elsevier in Chemical Engineering Journal
- Vol. 427
Abstract
No abstract availableKeywords
This publication has 39 references indexed in Scilit:
- Energy-Related Small Molecule Activation Reactions: Oxygen Reduction and Hydrogen and Oxygen Evolution Reactions Catalyzed by Porphyrin- and Corrole-Based SystemsChemical Reviews, 2016
- Activity origin and catalyst design principles for electrocatalytic hydrogen evolution on heteroatom-doped grapheneNature Energy, 2016
- Toward Design of Synergistically Active Carbon-Based Catalysts for Electrocatalytic Hydrogen EvolutionACS Nano, 2014
- Two‐Step Boron and Nitrogen Doping in Graphene for Enhanced Synergistic CatalysisAngewandte Chemie International Edition, 2013
- Sulfur and Nitrogen Dual‐Doped Mesoporous Graphene Electrocatalyst for Oxygen Reduction with Synergistically Enhanced PerformanceAngewandte Chemie International Edition, 2012
- Semiempirical GGA‐type density functional constructed with a long‐range dispersion correctionJournal of Computational Chemistry, 2006
- Origin of the Overpotential for Oxygen Reduction at a Fuel-Cell CathodeThe Journal of Physical Chemistry B, 2004
- Generalized Gradient Approximation Made SimplePhysical Review Letters, 1996
- Ab initiomolecular-dynamics simulation of the liquid-metal–amorphous-semiconductor transition in germaniumPhysical Review B, 1994
- Ab initiomolecular dynamics for liquid metalsPhysical Review B, 1993