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Convergence of multi-valley bands as the electronic origin of high thermoelectric performance in CoSb3 skutterudites

Nature materials, 2015-12, Vol.14 (12), p.1223-1228

2015

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Reformulation of DFT + U as a Pseudohybrid Hubbard Density Functional for Accelerated Materials Discovery

Physical review. X, 2015, Vol.5 (1), p.011006, Article 011006

2015

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Novel family of chiral-based topological insulators: elemental tellurium under strain

Physical review letters, 2013-04, Vol.110 (17), p.176401-176401, Article 176401

2013

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Effective and accurate representation of extended Bloch states on finite Hilbert spaces

Physical review. B, Condensed matter and materials physics, 2013-10, Vol.88 (16), Article 165127

2013

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Room-temperature high on/off ratio in suspended graphene nanoribbon field-effect transistors

Nanotechnology, 2011-07, Vol.22 (26), p.265201-265201

2011

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Ab initio electron-phonon interactions using atomic orbital wave functions

Physical review. B, 2018-06, Vol.97 (23), Article 235146

2018

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Aviram-Ratner rectifying mechanism for DNA base-pair sequencing through graphene nanogaps

Nanotechnology, 2012-04, Vol.23 (13), p.135202-1-11

2012

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Charge transport in organic molecular semiconductors from first principles: The bandlike hole mobility in a naphthalene crystal

Physical review. B, 2018-03, Vol.97 (11), Article 115203

2018

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Strain-induced topological insulator phase transition in HgSe

Physical review. B, Condensed matter and materials physics, 2013-02, Vol.87 (7), Article 075143

2013

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Accurate tight-binding Hamiltonians for two-dimensional and layered materials

Physical review. B, 2016-03, Vol.93 (12), Article 125137

2016

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Accurate tight-binding Hamiltonian matrices from ab initio calculations: Minimal basis sets

Physical review. B, 2016-01, Vol.93 (3), Article 035104

2016

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“Seamless” Graphene Interconnects for the Prospect of All-Carbon Spin-Polarized Field-Effect Transistors

Journal of physical chemistry. C, 2011-02, Vol.115 (6), p.2874-2879

2011

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Approaching the intrinsic band gap in suspended high-mobility graphene nanoribbons

Physical review. B, Condensed matter and materials physics, 2011-09, Vol.84 (12), Article 125411

2011

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Atomistic Origins of Molecular Memristors

Journal of physical chemistry. C, 2009-12, Vol.113 (48), p.20713-20718

2009

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Ab Initio Calculation of a Graphene-Ribbon-Based Molecular Switch

Journal of physical chemistry. C, 2007-09, Vol.111 (38), p.14266-14273

2007

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Adsorption of O, OH, and H2O on Pt-Based Bimetallic Clusters Alloyed with Co, Cr, and Ni

The journal of physical chemistry. A, Molecules, spectroscopy, kinetics, environment, & general theory, 2004-07, Vol.108 (30), p.6378-6384

2004

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Electric-field control of magnetism in graphene quantum dots: Ab initio calculations

Physical review. B, Condensed matter and materials physics, 2010-11, Vol.82 (20), p.201411-201411, Article 201411

2010

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Improved predictions of the physical properties of Zn- and Cd-based wide band-gap semiconductors: A validation of the ACBN0 functional

Physical review. B, Condensed matter and materials physics, 2015-06, Vol.91 (24), Article 245202

2015

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Energy Correctors for Accurate Prediction of Molecular Energies

The journal of physical chemistry. A, Molecules, spectroscopy, kinetics, environment, & general theory, 2006-01, Vol.110 (3), p.1060-1064

2006

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Performance of Multiplicity-Based Energy Correctors for Molecules Containing Second-Row Elements

The journal of physical chemistry. A, Molecules, spectroscopy, kinetics, environment, & general theory, 2006-03, Vol.110 (12), p.4260-4265

2006

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Ab initio electron-phonon interactions using atomic orbital wave functions

Physical review. B, 2018-06, Vol.97 (23)

2018

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Clustering effects on discontinuous gold film NanoCells

Journal of nanoscience and nanotechnology, 2004-09, Vol.4 (7), p.907-917

2004

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Convergence of multi-valley bands as the electronic origin of high thermoelectric performance in CoSb sub(3) skutterudites

Nature materials, 2015-12, Vol.14 (12), p.1223-1228

2015

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Convergence of multi-valley bands as the electronic origin of high thermoelectric performance in CoSb3 skutterudites

Nature materials, 2015-10, Vol.14 (12)

2015

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Conductance model of gold-molecule-silicon and carbon nanotube-molecule-silicon junctions

Physical review. B, Condensed matter and materials physics, 2007-09, Vol.76 (11), Article 115316

2007

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Convergence of multi-valley bands as the electronic origin of high thermoelectric performance in CoSb3 skutterudites

Reformulation of DFT + U as a Pseudohybrid Hubbard Density Functional for Accelerated Materials Discovery

Novel family of chiral-based topological insulators: elemental tellurium under strain

Effective and accurate representation of extended Bloch states on finite Hilbert spaces

Room-temperature high on/off ratio in suspended graphene nanoribbon field-effect transistors

Ab initio electron-phonon interactions using atomic orbital wave functions

Aviram-Ratner rectifying mechanism for DNA base-pair sequencing through graphene nanogaps

Charge transport in organic molecular semiconductors from first principles: The bandlike hole mobility in a naphthalene crystal

Strain-induced topological insulator phase transition in HgSe

Accurate tight-binding Hamiltonians for two-dimensional and layered materials

Accurate tight-binding Hamiltonian matrices from ab initio calculations: Minimal basis sets

“Seamless” Graphene Interconnects for the Prospect of All-Carbon Spin-Polarized Field-Effect Transistors

Approaching the intrinsic band gap in suspended high-mobility graphene nanoribbons

Atomistic Origins of Molecular Memristors

Ab Initio Calculation of a Graphene-Ribbon-Based Molecular Switch

Adsorption of O, OH, and H2O on Pt-Based Bimetallic Clusters Alloyed with Co, Cr, and Ni

Electric-field control of magnetism in graphene quantum dots: Ab initio calculations

Improved predictions of the physical properties of Zn- and Cd-based wide band-gap semiconductors: A validation of the ACBN0 functional

Energy Correctors for Accurate Prediction of Molecular Energies

Performance of Multiplicity-Based Energy Correctors for Molecules Containing Second-Row Elements

Ab initio electron-phonon interactions using atomic orbital wave functions

Clustering effects on discontinuous gold film NanoCells

Convergence of multi-valley bands as the electronic origin of high thermoelectric performance in CoSb sub(3) skutterudites

Convergence of multi-valley bands as the electronic origin of high thermoelectric performance in CoSb3 skutterudites

Conductance model of gold-molecule-silicon and carbon nanotube-molecule-silicon junctions

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