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Evaluating continuum solvation models for the electrode-electrolyte interface: Challenges and strategies for improvement

The Journal of chemical physics, 2017-02, Vol.146 (8), p.084111-084111

2017

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

The Journal of chemical physics, 2014-02, Vol.140 (8), p.084106-084106

2014

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Solvent effects determine the sign of the charges of maximum entropy and capacitance at silver electrodes

The Journal of chemical physics, 2023-03, Vol.158 (12), p.121102-121102

2023

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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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First-principles electrostatic potentials for reliable alignment at interfaces and defects

The Journal of chemical physics, 2017-03, Vol.146 (10), p.104109-104109

2017

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Interfacial water asymmetry at ideal electrochemical interfaces

The Journal of chemical physics, 2022-01, Vol.156 (1), p.014705-014705

2022

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Ultrafast hot-hole injection modifies hot-electron dynamics in Au/p-GaN heterostructures

Nature materials, 2020-12, Vol.19 (12), p.1312-1318

2020

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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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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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Hot carrier dynamics in plasmonic transition metal nitrides

Journal of optics (2010), 2018-06, Vol.20 (6), p.64001

2018

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Spin-phonon relaxation from a universal ab initio density-matrix approach

Nature communications, 2020-06, Vol.11 (1), p.2780-2780, Article 2780

2020

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Electroless Formation of Hybrid Lithium Anodes for Fast Interfacial Ion Transport

Angewandte Chemie (International ed.), 2017-10, Vol.56 (42), p.13070-13077

International ed. in English, 2017

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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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Erratum: “Interfacial water asymmetry at ideal electrochemical interfaces” [J. Chem. Phys. 156, 014705 (2022)]

The Journal of chemical physics, 2022-03, Vol.156 (12), p.129901-129901

2022

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Improving the reliability of machine learned potentials for modeling inhomogeneous liquids

Journal of computational chemistry, 2024-08, Vol.45 (21), p.1821-1828

2024

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Solid-liquid interfaces: Atomic-scale structure and dynamics

Journal of applied physics, 2024-04, Vol.135 (16)

2024

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Resistivity scaling in CuTi determined from transport measurements and first-principles simulations

Journal of applied physics, 2023-01, Vol.133 (4)

2023

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Plasmonic hot electron transport drives nano-localized chemistry

Nature communications, 2017-03, Vol.8 (1), p.14880-10, Article 14880

2017

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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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Plasmonic hot carrier dynamics in solid-state and chemical systems for energy conversion

Nanophotonics (Berlin, Germany), 2016-06, Vol.5 (1), p.96-111

2016

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Interdiffusion reliability and resistivity scaling of intermetallic compounds as advanced interconnect materials

Journal of applied physics, 2021-01, Vol.129 (3)

2021

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Impact of solvation on the GW quasiparticle spectra of molecules

Journal of applied physics, 2023-08, Vol.134 (8)

2023

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Quantifying the role of surface plasmon excitation and hot carrier transport in plasmonic devices

Nature communications, 2018-08, Vol.9 (1), p.3394-8, Article 3394

2018

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Hot-Hole versus Hot-Electron Transport at Cu/GaN Heterojunction Interfaces

ACS nano, 2020-05, Vol.14 (5), p.5788-5797

2020

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Temperature dependent electron–phonon coupling of Au resolved via lattice dynamics measured with sub-picosecond infrared pulses

Journal of applied physics, 2021-05, Vol.129 (19)

2021

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Evaluating continuum solvation models for the electrode-electrolyte interface: Challenges and strategies for improvement

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

Solvent effects determine the sign of the charges of maximum entropy and capacitance at silver electrodes

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

First-principles electrostatic potentials for reliable alignment at interfaces and defects

Interfacial water asymmetry at ideal electrochemical interfaces

Ultrafast hot-hole injection modifies hot-electron dynamics in Au/p-GaN heterostructures

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

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

Hot carrier dynamics in plasmonic transition metal nitrides

Spin-phonon relaxation from a universal ab initio density-matrix approach

Electroless Formation of Hybrid Lithium Anodes for Fast Interfacial Ion Transport

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

Erratum: “Interfacial water asymmetry at ideal electrochemical interfaces” [J. Chem. Phys. 156, 014705 (2022)]

Improving the reliability of machine learned potentials for modeling inhomogeneous liquids

Solid-liquid interfaces: Atomic-scale structure and dynamics

Resistivity scaling in CuTi determined from transport measurements and first-principles simulations

Plasmonic hot electron transport drives nano-localized chemistry

Theoretical predictions for hot-carrier generation from surface plasmon decay

Plasmonic hot carrier dynamics in solid-state and chemical systems for energy conversion

Interdiffusion reliability and resistivity scaling of intermetallic compounds as advanced interconnect materials

Impact of solvation on the GW quasiparticle spectra of molecules

Quantifying the role of surface plasmon excitation and hot carrier transport in plasmonic devices

Hot-Hole versus Hot-Electron Transport at Cu/GaN Heterojunction Interfaces

Temperature dependent electron–phonon coupling of Au resolved via lattice dynamics measured with sub-picosecond infrared pulses

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