Predicting the Stability and Loading for Electrochemical Preparation of Single-Atom Catalysts

High Loading of Transition Metal Single Atoms on Chalcogenide Catalysts

(2021) Jianwei Zheng et al.   JOURNAL OF THE AMERICAN CHEMICAL SOCIETY

Stability of single-atom catalysts for electrocatalysis

(2021) Hao Hu et al.   Journal of Materials Chemistry A

Enhancing the Understanding of Hydrogen Evolution and Oxidation Reactions on Pt(111) through Ab Initio Simulation of Electrode/Electrolyte Kinetics

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

Electrochemical deposition as a universal route for fabricating single-atom catalysts

(2020) Zhirong Zhang et al.   Nature Communications

Room-Temperature Synthesis of Single Iron Site by Electrofiltration for Photoreduction of CO2 into Tunable Syngas

(2020) Zhiyuan Wang et al.   ACS Nano

Site-specific electrodeposition enables self-terminating growth of atomically dispersed metal catalysts

(2020) Yi Shi et al.   Nature Communications

Highly Active and Stable Metal Single-Atom Catalysts Achieved by Strong Electronic Metal–Support Interactions

(2019) Junjie Li et al.   JOURNAL OF THE AMERICAN CHEMICAL SOCIETY

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

(2019) Kun Qi et al.   Nature Communications

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

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

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

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

Origin of the overpotentials for HCOO− and CO formation in the electroreduction of CO2 on Cu(211): the reductive desorption processes decide

(2018) Ling Liu et al.   PHYSICAL CHEMISTRY CHEMICAL PHYSICS

Thermochemically Consistent Free Energies of Hydration for Di- and Trivalent Metal Ions

(2018) Kasper P. Kepp   JOURNAL OF PHYSICAL CHEMISTRY A

Electrodeposition of Isolated Platinum Atoms and Clusters on Bismuth—Characterization and Electrocatalysis

(2017) Min Zhou et al.   JOURNAL OF THE AMERICAN CHEMICAL SOCIETY

MoS2 monolayer catalyst doped with isolated Co atoms for the hydrodeoxygenation reaction

(2017) Guoliang Liu et al.   Nature Chemistry

Cluster expansion method and its application in computational materials science

(2016) Qu Wu et al.   COMPUTATIONAL MATERIALS SCIENCE

Assessing a First-Principles Model of an Electrochemical Interface by Comparison with Experiment

(2016) Stephan N. Steinmann et al.   Journal of Physical Chemistry C

Potential Dependence of Electrochemical Barriers from ab Initio Calculations

(2016) Karen Chan et al.   Journal of Physical Chemistry Letters

Water Sites, Networks, And Free Energies with Grand Canonical Monte Carlo

(2015) Gregory A. Ross et al.   JOURNAL OF THE AMERICAN CHEMICAL SOCIETY

Tens of thousands of atoms replaced by one

(2015) John Meurig Thomas   NATURE

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

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

Chemically exfoliated single-layerMoS2: Stability, lattice dynamics, and catalytic adsorption from first principles

(2014) Matteo Calandra   PHYSICAL REVIEW B

Single-Atom Catalysts: A New Frontier in Heterogeneous Catalysis

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

Hydrogen Deposition on Pt(111) during Electrochemical Hydrogen Evolution from a First-Principles Multiadsorption-Site Study

(2013) Teck L. Tan et al.   Journal of Physical Chemistry C

First-Principles Prediction of the Equilibrium Shape of Nanoparticles Under Realistic Electrochemical Conditions

(2013) Nicéphore Bonnet et al.   PHYSICAL REVIEW LETTERS

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

(2011) Jingyue Jimmy Liu   ChemCatChem

A Theoretical Consideration on the Surface Structure and Nanoparticle Size Effects of Pt in Hydrogen Electrocatalysis

(2011) Fan Yang et al.   Journal of Physical Chemistry C

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

(2011) Botao Qiao et al.   Nature Chemistry

Coverage-Dependent CO Adsorption Energy from First-Principles Calculations

(2009) Bin Shan et al.   Journal of Physical Chemistry C

Configurational entropy of adsorbed rigid rods: Theory and Monte Carlo simulations

(2009) P.M. Centres et al.   PHYSICA A-STATISTICAL MECHANICS AND ITS APPLICATIONS

Aqueous and Surface Redox Potentials from Self-Consistently Determined Gibbs Energies

(2008) Ryosuke Jinnouchi et al.   Journal of Physical Chemistry C