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Defect-Mediated Charge-Carrier Trapping and Nonradiative Recombination in WSe2 Monolayers

Journal of the American Chemical Society, 2019-07, Vol.141 (26), p.10451-10461

2019

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Modeling Electron Injection at Semiconductor–Molecule Interfaces using First-Principles Dynamics Simulation: Effects of Nonadiabatic Coupling, Self-energy, and Surface Models

Journal of physical chemistry. C, 2019-05, Vol.123 (21), p.13295-13303

2019

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Modeling time-coincident ultrafast electron transfer and solvation processes at molecule-semiconductor interfaces

The Journal of chemical physics, 2014-06, Vol.140 (23), p.234109-234109

2014

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Antiferromagnetic structures and electronic energy levels at reconstructed NiO(111) surfaces: A DFT + U study

Physical review. B, Condensed matter and materials physics, 2015-06, Vol.91 (23), Article 235304

2015

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Dependence of hot electron transfer on surface coverage and adsorbate species at semiconductor-molecule interfaces

Physical chemistry chemical physics : PCCP, 2018, Vol.20 (18), p.12986-12991

2018

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Excited Electron Dynamics at Semiconductor–Molecule Type-II Heterojunction Interface: First-Principles Dynamics Simulation

The journal of physical chemistry letters, 2016-04, Vol.7 (8), p.1495-1500

2016

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Dependence of hot electron transfer on surface coverage and adsorbate species at semiconductor-molecule interfacesElectronic supplementary information (ESI) available: Details of the interface models, peak probability of hot electron within unoccupied electronic states and hot electron-accepting molecular states, surface-induced delocalization of the hot electron state for cyanidin, nonadiabatic coupling, probability change for the hot electron state before and after shifting the energy level. S

2018-05

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Dependence of hot electron transfer on surface coverage and adsorbate species at semiconductor–molecule interfaces

Physical chemistry chemical physics : PCCP, 2018-01, Vol.20 (18)

2018

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Prediction of Highly Selective Electrocatalytic Nitrogen Reduction at Low Overpotential on a Mo-Doped g‑GaN Monolayer

ACS catalysis, 2020-11, Vol.10 (21), p.12841-12857

2020

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First-Principles Modeling of Sodium Ion and Water Intercalation into Titanium Disulfide Interlayers for Water Desalination

Chemistry of materials, 2020-12, Vol.32 (24), p.10678-10687

2020

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Excited Electron Dynamics at Semiconductor–Molecule Type-II Heterojunction Interface: First-Principles Dynamics Simulation

The journal of physical chemistry letters, 2016-04, Vol.7 (8)

2016

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Size Dependence and Role of Decoherence in Hot Electron Relaxation within Fluorinated Silicon Quantum Dots: A First-Principles Study

Journal of physical chemistry. C, 2018-12, Vol.122 (51), p.29526-29536

2018

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Examining the Effect of Exchange-Correlation Approximations in First-Principles Dynamics Simulation of Interfacial Charge Transfer

Journal of chemical theory and computation, 2017-06, Vol.13 (6), p.2634-2641

2017

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Characterizing Structure-Dependent TiS 2 /Water Interfaces Using Deep-Neural-Network-Assisted Molecular Dynamics

Journal of physical chemistry. C, 2023-05

2023

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Characterizing Structure-Dependent TiS2/Water Interfaces Using Deep-Neural-Network-Assisted Molecular Dynamics

Journal of physical chemistry. C, 2023-05, Vol.127 (20), p.9750-9758

2023

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Defect-Mediated Charge-Carrier Trapping and Nonradiative Recombination in WSe 2 Monolayers

Journal of the American Chemical Society, 2019-07, Vol.141 (26), p.10451-10461

2019

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Modeling Plasmon-Induced Hot-Carrier Transfer

Chem, 2018-05, Vol.4 (5), p.937-939

2018

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Passivation of Nickel Vacancy Defects in Nickel Oxide Solar Cells by Targeted Atomic Deposition of Boron

Journal of physical chemistry. C, 2016-08, Vol.120 (30), p.16568-16576

2016

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Identifying an Alternative Hydride Transfer Pathway for CO2 Reduction on CdTe(111) and CuInS2(112) Surfaces

Advanced theory and simulations, 2022-01, Vol.5 (1), p.n/a

2022

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Identifying an Alternative Hydride Transfer Pathway for CO 2 Reduction on CdTe(111) and CuInS 2 (112) Surfaces

Advanced theory and simulations, 2022-01, Vol.5 (1)

2022

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Site-Selective Passivation of Defects in NiO Solar Photocathodes by Targeted Atomic Deposition

ACS applied materials & interfaces, 2016-02, Vol.8 (7), p.4754-4761

2016

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Modeling time-coincident ultrafast electron transfer and solvation processes at molecule-semiconductor interfaces

The Journal of chemical physics, 2014-06, Vol.140 (23)

2014

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Enabling Aqueous NiO Photocathodes by Passivating Surface Sites That Facilitate Proton-Coupled Charge Transfer

ACS applied energy materials, 2020-11, Vol.3 (11), p.10702-10713

2020

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Site-Selective Passivation of Defects in NiO Solar Photocathodes by Targeted Atomic Deposition

ACS applied materials & interfaces, 2016-02, Vol.8 (7)

2016

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Site-Selective Passivation of Defects in NiO Solar Photocathodes by Targeted Atomic Deposition

ACS applied materials & interfaces, 2016-02, Vol.8 (7)

2016

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Defect-Mediated Charge-Carrier Trapping and Nonradiative Recombination in WSe2 Monolayers

Modeling Electron Injection at Semiconductor–Molecule Interfaces using First-Principles Dynamics Simulation: Effects of Nonadiabatic Coupling, Self-energy, and Surface Models

Modeling time-coincident ultrafast electron transfer and solvation processes at molecule-semiconductor interfaces

Antiferromagnetic structures and electronic energy levels at reconstructed NiO(111) surfaces: A DFT + U study

Dependence of hot electron transfer on surface coverage and adsorbate species at semiconductor-molecule interfaces

Excited Electron Dynamics at Semiconductor–Molecule Type-II Heterojunction Interface: First-Principles Dynamics Simulation

Dependence of hot electron transfer on surface coverage and adsorbate species at semiconductor–molecule interfaces

Prediction of Highly Selective Electrocatalytic Nitrogen Reduction at Low Overpotential on a Mo-Doped g‑GaN Monolayer

First-Principles Modeling of Sodium Ion and Water Intercalation into Titanium Disulfide Interlayers for Water Desalination

Excited Electron Dynamics at Semiconductor–Molecule Type-II Heterojunction Interface: First-Principles Dynamics Simulation

Size Dependence and Role of Decoherence in Hot Electron Relaxation within Fluorinated Silicon Quantum Dots: A First-Principles Study

Examining the Effect of Exchange-Correlation Approximations in First-Principles Dynamics Simulation of Interfacial Charge Transfer

Characterizing Structure-Dependent TiS 2 /Water Interfaces Using Deep-Neural-Network-Assisted Molecular Dynamics

Characterizing Structure-Dependent TiS2/Water Interfaces Using Deep-Neural-Network-Assisted Molecular Dynamics

Defect-Mediated Charge-Carrier Trapping and Nonradiative Recombination in WSe 2 Monolayers

Modeling Plasmon-Induced Hot-Carrier Transfer

Passivation of Nickel Vacancy Defects in Nickel Oxide Solar Cells by Targeted Atomic Deposition of Boron

Identifying an Alternative Hydride Transfer Pathway for CO2 Reduction on CdTe(111) and CuInS2(112) Surfaces

Identifying an Alternative Hydride Transfer Pathway for CO 2 Reduction on CdTe(111) and CuInS 2 (112) Surfaces

Site-Selective Passivation of Defects in NiO Solar Photocathodes by Targeted Atomic Deposition

Modeling time-coincident ultrafast electron transfer and solvation processes at molecule-semiconductor interfaces

Enabling Aqueous NiO Photocathodes by Passivating Surface Sites That Facilitate Proton-Coupled Charge Transfer

Site-Selective Passivation of Defects in NiO Solar Photocathodes by Targeted Atomic Deposition

Site-Selective Passivation of Defects in NiO Solar Photocathodes by Targeted Atomic Deposition

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