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Kohn–Sham Decomposition in Real-Time Time-Dependent Density-Functional Theory: An Efficient Tool for Analyzing Plasmonic Excitations

Journal of chemical theory and computation, 2017-10, Vol.13 (10), p.4779-4790

2017

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Plasmon-Induced Direct Hot-Carrier Transfer at Metal–Acceptor Interfaces

ACS nano, 2019-03, Vol.13 (3), p.3188-3195

2019

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The fox and the hound: in-depth and in-grain Na doping and Ga grading in Cu(In,Ga)Se2 solar cells

Journal of materials chemistry. A, Materials for energy and sustainability, 2020-01, Vol.8 (14), p.6471-6479

2020

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Modeling of electron tunneling through a tilted potential barrier

Journal of applied physics, 2017-04, Vol.121 (13)

2017

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pH-Dependent Distribution of Functional Groups on Titanium-Based MXenes

ACS nano, 2019-08, Vol.13 (8), p.9171-9181

2019

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Intrinsic n-type behavior in transparent conducting oxides: a comparative hybrid-functional study of In2O3, SnO2, and ZnO

Physical review letters, 2009-12, Vol.103 (24), p.245501-245501

2009

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Stability of Cu-Precipitates in Al-Cu Alloys

Applied sciences, 2018-06, Vol.8 (6), p.1003

2018

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Quantized Evolution of the Plasmonic Response in a Stretched Nanorod

Physical review letters, 2015-12, Vol.115 (23), p.236804-236804, Article 236804

2015

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Plasmon Excitations in Mixed Metallic Nanoarrays

ACS nano, 2019-05, Vol.13 (5), p.5344-5355

2019

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Native point defect energetics in GaSb: Enabling p -type conductivity of undoped GaSb

Physical review. B, Condensed matter and materials physics, 2012-10, Vol.86 (14), Article 144101

2012

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Alkali Postdeposition Treatment-Induced Changes of the Chemical and Electronic Structure of Cu(In,Ga)Se 2 Thin-Film Solar Cell Absorbers: A First-Principle Perspective

ACS applied materials & interfaces, 2019-01, Vol.11 (3), p.3024-3033

2019

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Alkali Postdeposition Treatment-Induced Changes of the Chemical and Electronic Structure of Cu(In,Ga)Se2 Thin-Film Solar Cell Absorbers: A First-Principle Perspective

ACS applied materials & interfaces, 2019-01, Vol.11 (3), p.3024-3033

2019

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Simulating Raman spectra by combining first-principles and empirical potential approaches with application to defective MoS2

npj computational materials, 2020-05, Vol.6 (1), Article 59

2020

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Nanoplasmonics simulations at the basis set limit through completeness-optimized, local numerical basis sets

The Journal of chemical physics, 2015-03, Vol.142 (9), p.094114-094114

2015

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Ab initio transport fingerprints for resonant scattering in graphene

Physical review. B, Condensed matter and materials physics, 2012-12, Vol.86 (23), Article 235417

2012

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Plasmon excitations in chemically heterogeneous nanoarrays

Physical review. B, 2020-06, Vol.101 (23), p.1, Article 235132

2020

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Bound and free self-interstitial defects in graphite and bilayer graphene: A computational study

Physical review. B, Condensed matter and materials physics, 2011-07, Vol.84 (2), Article 024114

2011

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Electron transport in edge-disordered graphene nanoribbons

Physical review. B, Condensed matter and materials physics, 2011-05, Vol.83 (20), Article 205125

2011

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Effect of edge plasmons on the optical properties of MoS2 monolayer flakes

Physical review. B, 2017-10, Vol.96 (15)

2017

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Photoabsorption spectra of small fullerenes and Si-heterofullerenes

The Journal of chemical physics, 2008-04, Vol.128 (15), p.154307-154307-7

2008

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Tunability of the optical absorption in small silver cluster-polymer hybrid systems

The Journal of chemical physics, 2010-06, Vol.132 (21), p.214301-214301

2010

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Linear-scaling self-consistent implementation of the van der Waals density functional

Physical review. B, Condensed matter and materials physics, 2009-05, Vol.79 (20), Article 201105

2009

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Photoabsorption spectra of boron nitride fullerenelike structures

The Journal of chemical physics, 2007-06, Vol.126 (21), p.214306-214306-4

2007

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The fox and the hound: in-depth and in-grain Na doping and Ga grading in Cu(In,Ga)Se 2 solar cells

Journal of materials chemistry. A, Materials for energy and sustainability, 2020-04, Vol.8 (14), p.6471-6479

2020

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Nano-structures in Al-based alloys

Journal of physics. Conference series, 2011-01, Vol.265 (1), p.012017-13

2011

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Kohn–Sham Decomposition in Real-Time Time-Dependent Density-Functional Theory: An Efficient Tool for Analyzing Plasmonic Excitations

Plasmon-Induced Direct Hot-Carrier Transfer at Metal–Acceptor Interfaces

The fox and the hound: in-depth and in-grain Na doping and Ga grading in Cu(In,Ga)Se2 solar cells

Modeling of electron tunneling through a tilted potential barrier

pH-Dependent Distribution of Functional Groups on Titanium-Based MXenes

Intrinsic n-type behavior in transparent conducting oxides: a comparative hybrid-functional study of In2O3, SnO2, and ZnO

Stability of Cu-Precipitates in Al-Cu Alloys

Quantized Evolution of the Plasmonic Response in a Stretched Nanorod

Plasmon Excitations in Mixed Metallic Nanoarrays

Native point defect energetics in GaSb: Enabling p -type conductivity of undoped GaSb

Alkali Postdeposition Treatment-Induced Changes of the Chemical and Electronic Structure of Cu(In,Ga)Se 2 Thin-Film Solar Cell Absorbers: A First-Principle Perspective

Alkali Postdeposition Treatment-Induced Changes of the Chemical and Electronic Structure of Cu(In,Ga)Se2 Thin-Film Solar Cell Absorbers: A First-Principle Perspective

Simulating Raman spectra by combining first-principles and empirical potential approaches with application to defective MoS2

Nanoplasmonics simulations at the basis set limit through completeness-optimized, local numerical basis sets

Ab initio transport fingerprints for resonant scattering in graphene

Plasmon excitations in chemically heterogeneous nanoarrays

Bound and free self-interstitial defects in graphite and bilayer graphene: A computational study

Electron transport in edge-disordered graphene nanoribbons

Effect of edge plasmons on the optical properties of MoS2 monolayer flakes

Photoabsorption spectra of small fullerenes and Si-heterofullerenes

Tunability of the optical absorption in small silver cluster-polymer hybrid systems

Linear-scaling self-consistent implementation of the van der Waals density functional

Photoabsorption spectra of boron nitride fullerenelike structures

The fox and the hound: in-depth and in-grain Na doping and Ga grading in Cu(In,Ga)Se 2 solar cells

Nano-structures in Al-based alloys

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