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Mechanistic Analysis of Oxygen Vacancy-Driven Conductive Filament Formation in Resistive Random Access Memory Metal/NiO/Metal Structures

ACS applied materials & interfaces, 2018-03, Vol.10 (11), p.9802-9816

2018

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Bound Flavin–Cytochrome Model of Extracellular Electron Transfer in Shewanella oneidensis: Analysis by Free Energy Molecular Dynamics Simulations

The journal of physical chemistry. B, 2016-06, Vol.120 (25), p.5617-5624

2016

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Switching Behavior of Carbon Chains Bridging Graphene Nanoribbons: Effects of Uniaxial Strain

ACS nano, 2011-03, Vol.5 (3), p.1769-1774

2011

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Pronounced Effects of Anisotropy on Plasmonic Properties of Nanorings Fabricated by Electron Beam Lithography

Nano letters, 2012-04, Vol.12 (4), p.2158-2164

2012

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Theoretical analysis of structures and electronic spectra of molecular colloidal cadmium sulfide clusters and nanoplatelets

The Journal of chemical physics, 2021-09, Vol.155 (9), p.094302-094302

2021

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Plasmon-Induced Transparency in the Visible Region via Self-Assembled Gold Nanorod Heterodimers

Nano letters, 2013-12, Vol.13 (12), p.6287-6291

2013

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Computational search for magnetic and non-magnetic 2D topological materials using unified spin–orbit spillage screening

npj computational materials, 2020-05, Vol.6 (1), Article 49

2020

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Linear and Nonlinear Optical Response in Silver Nanoclusters: Insight from a Computational Investigation

The journal of physical chemistry. A, Molecules, spectroscopy, kinetics, environment, & general theory, 2016-02, Vol.120 (4), p.507-518

2016

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Analysis of nonlinear optical properties in donor-acceptor materials

The Journal of chemical physics, 2014-05, Vol.140 (18), p.184308-184308

2014

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The performance and relationship among range-separated schemes for density functional theory

The Journal of chemical physics, 2011-08, Vol.135 (7), p.074109-074109-10

2011

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Ground state electronic structures and spectra of zinc complexes of porphyrin, tetraazaporphyrin, tetrabenzoporphyrin, and phthalocyanine: A density functional theory study

The Journal of chemical physics, 2001-06, Vol.114 (24), p.10757-10767

2001

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Analysis of localized excitons in strained monolayer WSe2 by first principles calculations

Nanoscale, 2022-08, Vol.14 (31), p.11378-11387

2022

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Analysis of localized excitons in strained monolayer WSe by first principles calculations

Nanoscale, 2022-08, Vol.14 (31), p.11378-11387

2022

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Analysis of localized excitons in strained monolayer WSe 2 by first principles calculations

Nanoscale, 2022-08, Vol.14 (31), p.11378-11387

2022

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Effects of exciton-plasmon strong coupling on third harmonic generation by two-dimensional WS2 at periodic plasmonic interfaces

The Journal of chemical physics, 2018-03, Vol.148 (9)

2018

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Angular Dependence of the Second-Order Nonlinear Optical Response in Janus Transition Metal Dichalcogenide Monolayers

Journal of physical chemistry. C, 2022-09, Vol.126 (38), p.16243-16252

2022

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Mechanism of hydrogen production in [Fe–Fe]-hydrogenases: A quantum mechanics/molecular mechanics study

International journal of hydrogen energy, 2010-06, Vol.35 (11), p.5318-5331

2010

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Quantitative Structure−Property Relationships for Melting Points and Densities of Ionic Liquids

Energy & fuels, 2005-01, Vol.19 (1), p.279-284

2005

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Filament Formation in TaOx Thin Films for Memristor Device Application: Modeling Electron Energy Loss Spectra and Electron Transport

Advanced electronic materials, 2023-01, Vol.9 (1), p.n/a

2023

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P-type conduction in two-dimensional MoS2 via oxygen incorporation

Applied physics letters, 2017-05, Vol.110 (19)

2017

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Comparative theoretical study of single-wall carbon and boron-nitride nanotubes

Physical review. B, Condensed matter, 2003-06, Vol.67 (24), Article 245404

2003

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Optical Properties of Rodlike Metallic Nanostructures: Insight from Theory and Experiment

Journal of physical chemistry. C, 2009-09, Vol.113 (35), p.15524-15532

2009

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Fitting the charged-optimized many-body potential for the Al-O-Se-Zn system

Computational materials science, 2023-09, Vol.228, p.112371, Article 112371

2023

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Extrinsic Dopant Effects on Oxygen Vacancy Formation Energies in ZrO2 with Implication for Memristive Device Performance

ACS applied electronic materials, 2019-04, Vol.1 (4), p.467-477

2019

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Effects of solvation on one- and two-photon spectra of coumarin derivatives: A time-dependent density functional theory study

The Journal of chemical physics, 2007-03, Vol.126 (9), p.094303-094303-10

2007

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Mechanistic Analysis of Oxygen Vacancy-Driven Conductive Filament Formation in Resistive Random Access Memory Metal/NiO/Metal Structures

Bound Flavin–Cytochrome Model of Extracellular Electron Transfer in Shewanella oneidensis: Analysis by Free Energy Molecular Dynamics Simulations

Switching Behavior of Carbon Chains Bridging Graphene Nanoribbons: Effects of Uniaxial Strain

Pronounced Effects of Anisotropy on Plasmonic Properties of Nanorings Fabricated by Electron Beam Lithography

Theoretical analysis of structures and electronic spectra of molecular colloidal cadmium sulfide clusters and nanoplatelets

Plasmon-Induced Transparency in the Visible Region via Self-Assembled Gold Nanorod Heterodimers

Computational search for magnetic and non-magnetic 2D topological materials using unified spin–orbit spillage screening

Linear and Nonlinear Optical Response in Silver Nanoclusters: Insight from a Computational Investigation

Analysis of nonlinear optical properties in donor-acceptor materials

The performance and relationship among range-separated schemes for density functional theory

Ground state electronic structures and spectra of zinc complexes of porphyrin, tetraazaporphyrin, tetrabenzoporphyrin, and phthalocyanine: A density functional theory study

Analysis of localized excitons in strained monolayer WSe2 by first principles calculations

Analysis of localized excitons in strained monolayer WSe by first principles calculations

Analysis of localized excitons in strained monolayer WSe 2 by first principles calculations

Effects of exciton-plasmon strong coupling on third harmonic generation by two-dimensional WS2 at periodic plasmonic interfaces

Angular Dependence of the Second-Order Nonlinear Optical Response in Janus Transition Metal Dichalcogenide Monolayers

Mechanism of hydrogen production in [Fe–Fe]-hydrogenases: A quantum mechanics/molecular mechanics study

Quantitative Structure−Property Relationships for Melting Points and Densities of Ionic Liquids

Filament Formation in TaOx Thin Films for Memristor Device Application: Modeling Electron Energy Loss Spectra and Electron Transport

P-type conduction in two-dimensional MoS2 via oxygen incorporation

Comparative theoretical study of single-wall carbon and boron-nitride nanotubes

Optical Properties of Rodlike Metallic Nanostructures: Insight from Theory and Experiment

Fitting the charged-optimized many-body potential for the Al-O-Se-Zn system

Extrinsic Dopant Effects on Oxygen Vacancy Formation Energies in ZrO2 with Implication for Memristive Device Performance

Effects of solvation on one- and two-photon spectra of coumarin derivatives: A time-dependent density functional theory study

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