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Resolving the Temperature and Composition Dependence of Ion Conductivity for Yttria-Stabilized Zirconia from Machine Learning Simulation

Journal of physical chemistry. C, 2020-07, Vol.124 (28), p.15085-15093

2020

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Catalytic Role of Minority Species and Minority Sites for Electrochemical Hydrogen Evolution on Metals: Surface Charging, Coverage, and Tafel Kinetics

Journal of physical chemistry. C, 2013-04, Vol.117 (15), p.7669-7680

2013

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Two-Stage Solid-Phase Transition of Cubic Ice to Hexagonal Ice: Structural Origin and Kinetics

Journal of physical chemistry. C, 2018-12, Vol.122 (50), p.29009-29016

2018

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Energy Landscape and Crystal-to-Crystal Transition of Ternary Silicate Mg2SiO4

Journal of physical chemistry. C, 2016-11, Vol.120 (43), p.25110-25116

2016

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Unveiling Curvature Effect on Fe Atom Embedded N‑Doped Carbon Nanotubes for Electrocatalytic Oxygen Reduction Reactions Using Hybrid Quantum-Mechanics/Machine-Learning Potential

Journal of physical chemistry. C, 2024-02, Vol.128 (8), p.3127-3135

2024

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Selectivity of Direct Ethanol Fuel Cell Dictated by a Unique Partial Oxidation Channel

Journal of physical chemistry. C, 2007-08, Vol.111 (33), p.12157-12160

2007

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Multiscale Study of Hydrogen Adsorption, Diffusion, and Desorption on Li-Doped Phthalocyanine Covalent Organic Frameworks

Journal of physical chemistry. C, 2012-08, Vol.116 (30), p.15908-15917

2012

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Formic Acid Oxidation at Pt/H2O Interface from Periodic DFT Calculations Integrated with a Continuum Solvation Model

Journal of physical chemistry. C, 2009-10, Vol.113 (40), p.17502-17508

2009

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Stability and Phase Transition of Cobalt Oxide Phases by Machine Learning Global Potential Energy Surface

Journal of physical chemistry. C, 2019-07, Vol.123 (28), p.17539-17547

2019

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Structural Origin for the Enhanced Photocatalysis of Zr – Ti Oxide Composites from Machine Learning

Journal of physical chemistry. C, 2023-11, Vol.127 (46), p.22537-22547

2023

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Exploring Large-Lattice-Mismatched Interfaces with Neural Network Potentials: The Case of the CdS/CdTe Heterostructure

Journal of physical chemistry. C, 2022-08, Vol.126 (31), p.13366-13372

2022

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First Principles Tafel Kinetics for Resolving Key Parameters in Optimizing Oxygen Electrocatalytic Reduction Catalyst

Journal of physical chemistry. C, 2012-06, Vol.116 (23), p.12696-12705

2012

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Structure and Activity of Potential-Dependent Pt(110) Surface Phases Revealed from Machine-Learning Atomic Simulation

Journal of physical chemistry. C, 2021-05, Vol.125 (20), p.10955-10963

2021

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3‑D Tunnel TiO2 Crystal Phase as a Fast Charging Lithium Battery Anode from Stochastic Surface Walking-Based Material Screening

Journal of physical chemistry. C, 2019-08, Vol.123 (32), p.19347-19353

2019

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Combined Surface-Enhanced Infrared Spectroscopy and First-Principles Study on Electro-Oxidation of Formic Acid at Sb-Modified Pt Electrodes

Journal of physical chemistry. C, 2010-02, Vol.114 (7), p.3102-3107

2010

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Surface Phase Diagram and Oxygen Coupling Kinetics on Flat and Stepped Pt Surfaces under Electrochemical Potentials

Journal of physical chemistry. C, 2009-06, Vol.113 (22), p.9765-9772

2009

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Constant-Charge Reaction Theory for Potential-Dependent Reaction Kinetics at the Solid–Liquid Interface

Journal of physical chemistry. C, 2014-02, Vol.118 (7), p.3629-3635

2014

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Early-Career and Emerging Researchers in Physical Chemistry Volume 2

Journal of physical chemistry. C, 2023-11, Vol.127 (43), p.20975-20978

2023

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Is Transition Metal Oxide a Must? Moisture-Assisted Oxygen Activation in CO Oxidation on Gold/γ-Alumina

Journal of physical chemistry. C, 2010-10, Vol.114 (40), p.16989-16995

2010

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Methanol to Olefin Conversion on HSAPO-34 Zeolite from Periodic Density Functional Theory Calculations: A Complete Cycle of Side Chain Hydrocarbon Pool Mechanism

Journal of physical chemistry. C, 2009-03, Vol.113 (11), p.4584-4591

2009

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Mechanism of Oxygen Electro-Reduction on Au-Modified Pt: Minimizing O Coverage and Pt Site Exposure toward Highly Stable and Active Cathode

Journal of physical chemistry. C, 2011-09, Vol.115 (35), p.17508-17515

2011

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The JPC Periodic Table

Journal of physical chemistry. C, 2019-07, Vol.123 (28), p.17063-17074

2019

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Toward Anticorrosion Electrodes: Site-Selectivity and Self-Acceleration in the Electrochemical Corrosion of Platinum

Journal of physical chemistry. C, 2010-03, Vol.114 (9), p.4057-4062

2010

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Oxidative Dehydrogenation of Ethane over V2O5 (001): A Periodic Density Functional Theory Study

Journal of physical chemistry. C, 2008-03, Vol.112 (10), p.3719-3725

2008

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Insight into the Synergetic Effect in Ternary Gold-Based Catalysts: Ultrastability and High Activity of Au on Alumina Modified Titania

Journal of physical chemistry. C, 2007-09, Vol.111 (36), p.13539-13546

2007

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Resolving the Temperature and Composition Dependence of Ion Conductivity for Yttria-Stabilized Zirconia from Machine Learning Simulation

Catalytic Role of Minority Species and Minority Sites for Electrochemical Hydrogen Evolution on Metals: Surface Charging, Coverage, and Tafel Kinetics

Two-Stage Solid-Phase Transition of Cubic Ice to Hexagonal Ice: Structural Origin and Kinetics

Energy Landscape and Crystal-to-Crystal Transition of Ternary Silicate Mg2SiO4

Unveiling Curvature Effect on Fe Atom Embedded N‑Doped Carbon Nanotubes for Electrocatalytic Oxygen Reduction Reactions Using Hybrid Quantum-Mechanics/Machine-Learning Potential

Selectivity of Direct Ethanol Fuel Cell Dictated by a Unique Partial Oxidation Channel

Multiscale Study of Hydrogen Adsorption, Diffusion, and Desorption on Li-Doped Phthalocyanine Covalent Organic Frameworks

Formic Acid Oxidation at Pt/H2O Interface from Periodic DFT Calculations Integrated with a Continuum Solvation Model

Stability and Phase Transition of Cobalt Oxide Phases by Machine Learning Global Potential Energy Surface

Structural Origin for the Enhanced Photocatalysis of Zr – Ti Oxide Composites from Machine Learning

Exploring Large-Lattice-Mismatched Interfaces with Neural Network Potentials: The Case of the CdS/CdTe Heterostructure

First Principles Tafel Kinetics for Resolving Key Parameters in Optimizing Oxygen Electrocatalytic Reduction Catalyst

Structure and Activity of Potential-Dependent Pt(110) Surface Phases Revealed from Machine-Learning Atomic Simulation

3‑D Tunnel TiO2 Crystal Phase as a Fast Charging Lithium Battery Anode from Stochastic Surface Walking-Based Material Screening

Combined Surface-Enhanced Infrared Spectroscopy and First-Principles Study on Electro-Oxidation of Formic Acid at Sb-Modified Pt Electrodes

Surface Phase Diagram and Oxygen Coupling Kinetics on Flat and Stepped Pt Surfaces under Electrochemical Potentials

Constant-Charge Reaction Theory for Potential-Dependent Reaction Kinetics at the Solid–Liquid Interface

Early-Career and Emerging Researchers in Physical Chemistry Volume 2

Is Transition Metal Oxide a Must? Moisture-Assisted Oxygen Activation in CO Oxidation on Gold/γ-Alumina

Methanol to Olefin Conversion on HSAPO-34 Zeolite from Periodic Density Functional Theory Calculations: A Complete Cycle of Side Chain Hydrocarbon Pool Mechanism

Mechanism of Oxygen Electro-Reduction on Au-Modified Pt: Minimizing O Coverage and Pt Site Exposure toward Highly Stable and Active Cathode

The JPC Periodic Table

Toward Anticorrosion Electrodes: Site-Selectivity and Self-Acceleration in the Electrochemical Corrosion of Platinum

Oxidative Dehydrogenation of Ethane over V2O5 (001): A Periodic Density Functional Theory Study

Insight into the Synergetic Effect in Ternary Gold-Based Catalysts: Ultrastability and High Activity of Au on Alumina Modified Titania

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