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Comparative study of structural and electronic properties of GaSe and InSe polytypes

The Journal of chemical physics, 2018-08, Vol.149 (5), p.054106-054106

2018

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Theoretical investigation of the thermal conductivity of Ga2O3 polymorphs

Solid state communications, 2024-12, Vol.394, p.115715, Article 115715

2024

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Thermal properties of In2O3 and α-Ga2S3 compounds

Solid state communications, 2024-11, Vol.391, p.115629, Article 115629

2024

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Water-silanol interactions on the amorphous silica surface: A dispersion-corrected DFT investigation

Journal of molecular liquids, 2020-12, Vol.320, p.114496, Article 114496

2020

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Ab-initio study of the electronic structure of LaF including spin–orbit coupling

Journal of molecular modeling, 2022-06, Vol.28 (6), p.170-170, Article 170

2022

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Atomistic description of phenol, CO and H2O adsorption over crystalline and amorphous silica surfaces for hydrodeoxygenation applications

Applied surface science, 2019-11, Vol.494, p.721-730

2019

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Modification of the Acoustic Mismatch Model and Diffuse Mismatch Model for Accurate Prediction of Interface Thermal Conductance at Low Temperatures

ASME journal of heat and mass transfer, 2024-04, Vol.146 (4)

2024

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Theoretical prediction of the structural, electronic, and thermal properties of Al1−xBxAs ternary alloys

Materials science in semiconductor processing, 2013-12, Vol.16 (6), p.2063-2069

2013

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Electrical conductivity and impedance calculated beyond τ-approximation

Indian journal of physics, 2021-03, Vol.95 (3), p.433-437

2021

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Ab initio study of the adsorption of Potassium on B, N, and BN-doped graphene heterostructure

Materials today communications, 2019-12, Vol.21, p.100676, Article 100676

2019

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Study of Structural, Electronic, and Magnetic Properties of Cubic Lanthanide Based on Oxide Perovskite-Type NdGaO3

Journal of superconductivity and novel magnetism, 2019-07, Vol.32 (7), p.2149-2154

2019

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Size and thickness effect on magnetic structures of maghemite hollow magnetic nanoparticles

Journal of nanoparticle research : an interdisciplinary forum for nanoscale science and technology, 2016-09, Vol.18 (9), p.1, Article 279

2016

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Ultralow thermal conductivity in Si–Ge nanograin mixtures: A cost-effective granular material for thermoelectric applications

Journal of applied physics, 2024-10, Vol.136 (16)

2024

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Comparative study of the fundamental properties of Ga2O3 polymorphs

Journal of solid state chemistry, 2022-08, Vol.312, p.123272, Article 123272

2022

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First-principles investigations of the ground-state and excited-state properties of BeO polymorphs

Journal of physics. Condensed matter, 2007-10, Vol.19 (43), p.436216-436216 (12)

2007

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Structural, electronic, magnetic and thermodynamic properties of full-Heusler compound Co2VSi: Ab initio study

Journal of magnetism and magnetic materials, 2015-05, Vol.381, p.65-69

2015

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Skyrmion based random bit generator

Physica. B, Condensed matter, 2020-02, Vol.579, p.411900, Article 411900

2020

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Influence of Vacancy Defect on Surface Feature and Adsorption of Cs on GaN(0001) Surface

TheScientificWorld, 2014-01, Vol.2014 (2014), p.1-6

2014

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Structural, electronic, magnetic and thermodynamic properties of full-Heusler compound Co sub(2)VSi: Ab initio study

Journal of magnetism and magnetic materials, 2015-05, Vol.381, p.65-69

2015

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ab-initio investigations of electronic and magnetic properties of the tetragonal chalcopyrite BeTiTe 2 compound: DFT + U study

Philosophical magazine (Abingdon, England), 2019-09, Vol.99 (17), p.2185-2197

2019

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ab-initio investigations of electronic and magnetic properties of the tetragonal chalcopyrite BeTiTe2 compound: DFT + U study

Philosophical magazine (Abingdon, England), 2019-09, Vol.99 (17), p.2185-2197

2019

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First-principles calculations to investigate half-metallic ferromagnetism in Zn0.50Ti0.50S alloy by using DFT + U calculations

Philosophical magazine (Abingdon, England), 2019-12, Vol.99 (23), p.3000-3014

2019

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Electronic and optical properties of borophene and graphene with an adsorbed ionic liquid: A density functional theory study

Journal of molecular liquids, 2020-10, Vol.316, p.113803, Article 113803

2020

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First-principles calculations to investigate half-metallic ferromagnetism in Zn 0.50 Ti 0.50 S alloy by using DFT + U calculations

Philosophical magazine (Abingdon, England), 2019-12, Vol.99 (23), p.3000-3014

2019

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Tuning the hybrid borophene−/graphene-ionic liquid interface: Effect of metal cations on the electronic and photonic properties

Journal of molecular liquids, 2021-01, Vol.321, p.114759, Article 114759

2021

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Comparative study of structural and electronic properties of GaSe and InSe polytypes

Theoretical investigation of the thermal conductivity of Ga2O3 polymorphs

Thermal properties of In2O3 and α-Ga2S3 compounds

Water-silanol interactions on the amorphous silica surface: A dispersion-corrected DFT investigation

Ab-initio study of the electronic structure of LaF including spin–orbit coupling

Atomistic description of phenol, CO and H2O adsorption over crystalline and amorphous silica surfaces for hydrodeoxygenation applications

Modification of the Acoustic Mismatch Model and Diffuse Mismatch Model for Accurate Prediction of Interface Thermal Conductance at Low Temperatures

Theoretical prediction of the structural, electronic, and thermal properties of Al1−xBxAs ternary alloys

Electrical conductivity and impedance calculated beyond τ-approximation

Ab initio study of the adsorption of Potassium on B, N, and BN-doped graphene heterostructure

Study of Structural, Electronic, and Magnetic Properties of Cubic Lanthanide Based on Oxide Perovskite-Type NdGaO3

Size and thickness effect on magnetic structures of maghemite hollow magnetic nanoparticles

Ultralow thermal conductivity in Si–Ge nanograin mixtures: A cost-effective granular material for thermoelectric applications

Comparative study of the fundamental properties of Ga2O3 polymorphs

First-principles investigations of the ground-state and excited-state properties of BeO polymorphs

Structural, electronic, magnetic and thermodynamic properties of full-Heusler compound Co2VSi: Ab initio study

Skyrmion based random bit generator

Influence of Vacancy Defect on Surface Feature and Adsorption of Cs on GaN(0001) Surface

Structural, electronic, magnetic and thermodynamic properties of full-Heusler compound Co sub(2)VSi: Ab initio study

ab-initio investigations of electronic and magnetic properties of the tetragonal chalcopyrite BeTiTe 2 compound: DFT + U study

ab-initio investigations of electronic and magnetic properties of the tetragonal chalcopyrite BeTiTe2 compound: DFT + U study

First-principles calculations to investigate half-metallic ferromagnetism in Zn0.50Ti0.50S alloy by using DFT + U calculations

Electronic and optical properties of borophene and graphene with an adsorbed ionic liquid: A density functional theory study

First-principles calculations to investigate half-metallic ferromagnetism in Zn 0.50 Ti 0.50 S alloy by using DFT + U calculations

Tuning the hybrid borophene−/graphene-ionic liquid interface: Effect of metal cations on the electronic and photonic properties

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