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Schottky-Barrier-Free Contacts with Two-Dimensional Semiconductors by Surface-Engineered MXenes

Journal of the American Chemical Society, 2016-12, Vol.138 (49), p.15853-15856

2016

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High-performance bifunctional porous non-noble metal phosphide catalyst for overall water splitting

Nature communications, 2018-06, Vol.9 (1), p.2551-9, Article 2551

2018

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Theoretical predictions for hot-carrier generation from surface plasmon decay

Nature communications, 2014-12, Vol.5 (1), p.5788-5788, Article 5788

2014

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Explanation of Dramatic pH-Dependence of Hydrogen Binding on Noble Metal Electrode: Greatly Weakened Water Adsorption at High pH

Journal of the American Chemical Society, 2018-06, Vol.140 (25), p.7787-7790

2018

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Mechanistic Explanation of the pH Dependence and Onset Potentials for Hydrocarbon Products from Electrochemical Reduction of CO on Cu (111)

Journal of the American Chemical Society, 2016-01, Vol.138 (2), p.483-486

2016

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

Journal of the American Chemical Society, 2018-06, Vol.140 (22), p.6745-6748

2018

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Efficient hydrogen evolution by ternary molybdenum sulfoselenide particles on self-standing porous nickel diselenide foam

Nature communications, 2016-09, Vol.7 (1), p.12765-12765, Article 12765

2016

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Free-Energy Barriers and Reaction Mechanisms for the Electrochemical Reduction of CO on the Cu(100) Surface, Including Multiple Layers of Explicit Solvent at pH 0

The journal of physical chemistry letters, 2015-12, Vol.6 (23), p.4767-4773

2015

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The charge-asymmetric nonlocally determined local-electric (CANDLE) solvation model

The Journal of chemical physics, 2015-02, Vol.142 (6), p.064107-064107

2015

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Grand canonical electronic density-functional theory: Algorithms and applications to electrochemistry

The Journal of chemical physics, 2017-03, Vol.146 (11), p.114104-114104

2017

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Resolution of the Band Gap Prediction Problem for Materials Design

The journal of physical chemistry letters, 2016-04, Vol.7 (7), p.1198-1203

2016

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Atomistic Explanation of the Dramatically Improved Oxygen Reduction Reaction of Jagged Platinum Nanowires, 50 Times Better than Pt

Journal of the American Chemical Society, 2020-05, Vol.142 (19), p.8625-8632

2020

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Nonradiative Plasmon Decay and Hot Carrier Dynamics: Effects of Phonons, Surfaces, and Geometry

ACS nano, 2016-01, Vol.10 (1), p.957-966

2016

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Reaction mechanism and kinetics for CO2 reduction on nickel single atom catalysts from quantum mechanics

Nature communications, 2020-05, Vol.11 (1), p.2256-2256, Article 2256

2020

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Efficient photocatalytic reduction of dinitrogen to ammonia on bismuth monoxide quantum dots

Journal of materials chemistry. A, Materials for energy and sustainability, 2017, Vol.5 (1), p.201-209

2017

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Calculation of Solvation Free Energies of Charged Solutes Using Mixed Cluster/Continuum Models

The journal of physical chemistry. B, 2008-08, Vol.112 (32), p.9709-9719

2008

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Reaction Mechanism and Kinetics for Ammonia Synthesis on the Fe(111) Surface

Journal of the American Chemical Society, 2018-05, Vol.140 (20), p.6288-6297

2018

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Potential-dependent transition of reaction mechanisms for oxygen evolution on layered double hydroxides

Nature communications, 2023-07, Vol.14 (1), p.4228-4228, Article 4228

2023

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Ultrahigh Mass Activity for Carbon Dioxide Reduction Enabled by Gold–Iron Core–Shell Nanoparticles

Journal of the American Chemical Society, 2017-11, Vol.139 (44), p.15608-15611

2017

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Tellurium: Fast Electrical and Atomic Transport along the Weak Interaction Direction

Journal of the American Chemical Society, 2018-01, Vol.140 (2), p.550-553

2018

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Stabilizing Highly Active Ru Sites by Suppressing Lattice Oxygen Participation in Acidic Water Oxidation

Journal of the American Chemical Society, 2021-05, Vol.143 (17), p.6482-6490

2021

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Pressure-Dependent Polymorphism and Band-Gap Tuning of Methylammonium Lead Iodide Perovskite

Angewandte Chemie (International ed.), 2016-05, Vol.55 (22), p.6540-6544

International ed. in English, 2016

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Structure-Based Sequence Alignment of the Transmembrane Domains of All Human GPCRs: Phylogenetic, Structural and Functional Implications

PLoS computational biology, 2016-03, Vol.12 (3), p.e1004805-e1004805

2016

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Computational and experimental demonstrations of one-pot tandem catalysis for electrochemical carbon dioxide reduction to methane

Nature communications, 2019-07, Vol.10 (1), p.3340-9, Article 3340

2019

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Defect-enriched iron fluoride-oxide nanoporous thin films bifunctional catalyst for water splitting

Nature communications, 2018-05, Vol.9 (1), p.1809-11, Article 1809

2018

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Schottky-Barrier-Free Contacts with Two-Dimensional Semiconductors by Surface-Engineered MXenes

High-performance bifunctional porous non-noble metal phosphide catalyst for overall water splitting

Theoretical predictions for hot-carrier generation from surface plasmon decay

Explanation of Dramatic pH-Dependence of Hydrogen Binding on Noble Metal Electrode: Greatly Weakened Water Adsorption at High pH

Mechanistic Explanation of the pH Dependence and Onset Potentials for Hydrocarbon Products from Electrochemical Reduction of CO on Cu (111)

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

Efficient hydrogen evolution by ternary molybdenum sulfoselenide particles on self-standing porous nickel diselenide foam

Free-Energy Barriers and Reaction Mechanisms for the Electrochemical Reduction of CO on the Cu(100) Surface, Including Multiple Layers of Explicit Solvent at pH 0

The charge-asymmetric nonlocally determined local-electric (CANDLE) solvation model

Grand canonical electronic density-functional theory: Algorithms and applications to electrochemistry

Resolution of the Band Gap Prediction Problem for Materials Design

Atomistic Explanation of the Dramatically Improved Oxygen Reduction Reaction of Jagged Platinum Nanowires, 50 Times Better than Pt

Nonradiative Plasmon Decay and Hot Carrier Dynamics: Effects of Phonons, Surfaces, and Geometry

Reaction mechanism and kinetics for CO2 reduction on nickel single atom catalysts from quantum mechanics

Efficient photocatalytic reduction of dinitrogen to ammonia on bismuth monoxide quantum dots

Calculation of Solvation Free Energies of Charged Solutes Using Mixed Cluster/Continuum Models

Reaction Mechanism and Kinetics for Ammonia Synthesis on the Fe(111) Surface

Potential-dependent transition of reaction mechanisms for oxygen evolution on layered double hydroxides

Ultrahigh Mass Activity for Carbon Dioxide Reduction Enabled by Gold–Iron Core–Shell Nanoparticles

Tellurium: Fast Electrical and Atomic Transport along the Weak Interaction Direction

Stabilizing Highly Active Ru Sites by Suppressing Lattice Oxygen Participation in Acidic Water Oxidation

Pressure-Dependent Polymorphism and Band-Gap Tuning of Methylammonium Lead Iodide Perovskite

Structure-Based Sequence Alignment of the Transmembrane Domains of All Human GPCRs: Phylogenetic, Structural and Functional Implications

Computational and experimental demonstrations of one-pot tandem catalysis for electrochemical carbon dioxide reduction to methane

Defect-enriched iron fluoride-oxide nanoporous thin films bifunctional catalyst for water splitting

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