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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 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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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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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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Why and How Carbon Dioxide Conversion to Methanol Happens on Functionalized Semiconductor Photoelectrodes

Journal of the American Chemical Society, 2018-12, Vol.140 (48), p.16749-16757

2018

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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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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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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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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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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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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)

2015

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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)

2015

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Polycondensation reaction of RAa + RBb type involving intramolecular cyclization

Macromolecules, 1989-08, Vol.22 (8), p.3424-3428

1989

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Synthesis and Biological Application of Polylactic Acid

Molecules (Basel, Switzerland), 2020-10, Vol.25 (21), p.5023

2020

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Multifunctional nanoadjuvant-driven microenvironment modulation for enhanced photothermal immunotherapy in breast cancer

Journal of controlled release, 2023-10, Vol.362, p.309-324

2023

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

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

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

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

Why and How Carbon Dioxide Conversion to Methanol Happens on Functionalized Semiconductor Photoelectrodes

Characterizing Structure-Dependent TiS 2 /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

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

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

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

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

Polycondensation reaction of RAa + RBb type involving intramolecular cyclization

Synthesis and Biological Application of Polylactic Acid

Multifunctional nanoadjuvant-driven microenvironment modulation for enhanced photothermal immunotherapy in breast cancer

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