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Strain, electric-field and functionalization induced widely tunable electronic properties in MoS2/BC3, /C3N and / C3N4 van der Waals heterostructures

Nanotechnology, 2020-05, Vol.31 (29)

2020

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Theoretical prediction of two-dimensional BC2X (X = N, P, As) monolayers: ab initio investigations

Scientific reports, 2022-12, Vol.12 (1), p.22269-22269, Article 22269

2022

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Strain and electric field tuning of semi-metallic character WCrCO2MXenes with dual narrow band gap

Journal of physics. Condensed matter, 2020-08, Vol.32 (35)

2020

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MoSi2N4 single-layer: a novel two-dimensional material with outstanding mechanical, thermal, electronic and optical properties

Journal of physics. D, Applied physics, 2021-04, Vol.54 (15)

2021

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Biphenylene monolayer as a two-dimensional nonbenzenoid carbon allotrope: a first-principles study

Journal of physics. Condensed matter, 2022-01, Vol.34 (1), p.15001

2022

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Strain and electric field tuning of semi-metallic character WCrCO2 MXenes with dual narrow band gap

Journal of physics. Condensed matter, 2020-08, Vol.32 (35)

2020

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Van der Waals heterostructures of MoS2 and Janus MoSSe monolayers on graphitic boron-carbon-nitride (BC3, C3N, C3N4 and C4N3) nanosheets: a first-principles study

Journal of physics. D, Applied physics, 2020-08, Vol.53 (35)

2020

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Ab-initio-driven prediction of puckered penta-like PdPSeX (XO, S, Te) Janus monolayers: Study on the electronic, optical, mechanical and photocatalytic properties

Applied surface science, 2022-04, Vol.582, p.152356, Article 152356

2022

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Ab initio prediction of semiconductivity in a novel two-dimensional Sb2X3 (X= S, Se, Te) monolayers with orthorhombic structure

Scientific reports, 2021-05, Vol.11 (1), p.10366-10366, Article 10366

2021

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Two-dimensional porous graphitic carbon nitride C6N7 monolayer: First-principles calculations

Applied physics letters, 2021-10, Vol.119 (14)

2021

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A Dirac-semimetal two-dimensional BeN4: Thickness-dependent electronic and optical properties

Applied physics letters, 2021-05, Vol.118 (20)

2021

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Electronic and magnetic properties of two-dimensional of FeX (X = S, Se, Te) monolayers crystallize in the orthorhombic structures

Applied physics letters, 2021-04, Vol.118 (14)

2021

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Investigation of vacancy defects and substitutional doping in AlSb monolayer with double layer honeycomb structure: a first-principles calculation

Journal of physics. Condensed matter, 2022-02, Vol.34 (6), p.65701

2022

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Surface modification of titanium carbide MXene monolayers (Ti 2 C and Ti 3 C 2 ) via chalcogenide and halogenide atoms

Physical chemistry chemical physics : PCCP, 2021-07, Vol.23 (28), p.15319-15328

2021

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Effect of electric field and vertical strain on the electro-optical properties of the MoSi2N4 bilayer: A first-principles calculation

Journal of applied physics, 2021-04, Vol.129 (15)

2021

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Two-dimensional carbon nitride C6N nanosheet with egg-comb-like structure and electronic properties of a semimetal

Nanotechnology, 2021-05, Vol.32 (21)

2021

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Modulating the electro-optical properties of doped C3N monolayers and graphene bilayers via mechanical strain and pressure

New journal of chemistry, 2020-09, Vol.44 (36), p.15785-15792

2020

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Two-dimensional FeTe2 and predicted Janus FeXS (X: Te and Se) monolayers with intrinsic half-metallic character: tunable electronic and magnetic properties via strain and electric field

Physical chemistry chemical physics : PCCP, 2021-11, Vol.23 (42), p.24336-24343

2021

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Two-dimensional penta-like PdPSe with a puckered pentagonal structure: a first-principles study

Physical chemistry chemical physics : PCCP, 2022-05, Vol.24 (17), p.999-9997

2022

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Adsorption of molecules on C3N nanosheet: A first-principles calculations

Chemical physics, 2019-10, Vol.526, p.110442, Article 110442

2019

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Graphene hetero-multilayer on layered platinum mineral jacutingaite (PtHgSe): van der Waals heterostructures with novel optoelectronic and thermoelectric performances

Journal of materials chemistry. A, Materials for energy and sustainability, 2020-07, Vol.8 (26), p.13248-1326

2020

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Surface modification of XSe (X = Cu and Ag) monolayers by grope 1 elements: A metal to semiconductor transition by a first-principles perspective

Scientific reports, 2024-06, Vol.14 (1), p.12695-12695

2024

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Two-dimensional buckled tetragonal cadmium chalcogenides including CdS, CdSe, and CdTe monolayers as photo-catalysts for water splitting

Physical chemistry chemical physics : PCCP, 2021-06, Vol.23 (21), p.12226-12232

2021

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Two-dimensional Janus semiconductor BiTeCl and BiTeBr monolayers: a first-principles study on their tunable electronic properties via an electric field and mechanical strain

Physical chemistry chemical physics : PCCP, 2021-07, Vol.23 (28), p.15216-15223

2021

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Novel two-dimensional AlSb and InSb monolayers with a double-layer honeycomb structure: a first-principles study

Physical chemistry chemical physics : PCCP, 2021-09, Vol.23 (34), p.18752-18759

2021

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Strain, electric-field and functionalization induced widely tunable electronic properties in MoS2/BC3, /C3N and / C3N4 van der Waals heterostructures

Theoretical prediction of two-dimensional BC2X (X = N, P, As) monolayers: ab initio investigations

Strain and electric field tuning of semi-metallic character WCrCO2MXenes with dual narrow band gap

MoSi2N4 single-layer: a novel two-dimensional material with outstanding mechanical, thermal, electronic and optical properties

Biphenylene monolayer as a two-dimensional nonbenzenoid carbon allotrope: a first-principles study

Strain and electric field tuning of semi-metallic character WCrCO2 MXenes with dual narrow band gap

Van der Waals heterostructures of MoS2 and Janus MoSSe monolayers on graphitic boron-carbon-nitride (BC3, C3N, C3N4 and C4N3) nanosheets: a first-principles study

Ab-initio-driven prediction of puckered penta-like PdPSeX (XO, S, Te) Janus monolayers: Study on the electronic, optical, mechanical and photocatalytic properties

Ab initio prediction of semiconductivity in a novel two-dimensional Sb2X3 (X= S, Se, Te) monolayers with orthorhombic structure

Two-dimensional porous graphitic carbon nitride C6N7 monolayer: First-principles calculations

A Dirac-semimetal two-dimensional BeN4: Thickness-dependent electronic and optical properties

Electronic and magnetic properties of two-dimensional of FeX (X = S, Se, Te) monolayers crystallize in the orthorhombic structures

Investigation of vacancy defects and substitutional doping in AlSb monolayer with double layer honeycomb structure: a first-principles calculation

Surface modification of titanium carbide MXene monolayers (Ti 2 C and Ti 3 C 2 ) via chalcogenide and halogenide atoms

Effect of electric field and vertical strain on the electro-optical properties of the MoSi2N4 bilayer: A first-principles calculation

Two-dimensional carbon nitride C6N nanosheet with egg-comb-like structure and electronic properties of a semimetal

Modulating the electro-optical properties of doped C3N monolayers and graphene bilayers via mechanical strain and pressure

Two-dimensional FeTe2 and predicted Janus FeXS (X: Te and Se) monolayers with intrinsic half-metallic character: tunable electronic and magnetic properties via strain and electric field

Two-dimensional penta-like PdPSe with a puckered pentagonal structure: a first-principles study

Adsorption of molecules on C3N nanosheet: A first-principles calculations

Graphene hetero-multilayer on layered platinum mineral jacutingaite (PtHgSe): van der Waals heterostructures with novel optoelectronic and thermoelectric performances

Surface modification of XSe (X = Cu and Ag) monolayers by grope 1 elements: A metal to semiconductor transition by a first-principles perspective

Two-dimensional buckled tetragonal cadmium chalcogenides including CdS, CdSe, and CdTe monolayers as photo-catalysts for water splitting

Two-dimensional Janus semiconductor BiTeCl and BiTeBr monolayers: a first-principles study on their tunable electronic properties via an electric field and mechanical strain

Novel two-dimensional AlSb and InSb monolayers with a double-layer honeycomb structure: a first-principles study

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