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Effect of strain on the photoelectric properties of molybdenum ditelluride under vacancy defects: a DFT investigation

Journal of molecular modeling, 2024-08, Vol.30 (8), p.259, Article 259

2024

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Effect of compressive strain on electronic and optical properties of Cr-doped monolayer WS2

Journal of molecular modeling, 2024-05, Vol.30 (5), p.137-137, Article 137

2024

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Bending deformation modulation of the optoelectronic properties of molybdenum ditelluride doped with nonmetallic atoms X (X = B, C, N, O): a first-principles study

Journal of molecular modeling, 2024-04, Vol.30 (4), p.94-94, Article 94

2024

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Electronic structure and optical properties of B-, N-, and BN-doped black phosphorene using the first-principles

Journal of molecular modeling, 2022-08, Vol.28 (8), p.233-233, Article 233

2022

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Torsional deformation modulation of the electronic structure and optical properties of molybdenum ditelluride systems doped with halogen atoms X (X = F, Cl, Br, I): a first-principles study

Journal of molecular modeling, 2023-11, Vol.29 (11), p.356-356, Article 356

2023

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Effect of strain on the electronic structure and optical properties of Cr-doped monolayer MoS2

Journal of molecular modeling, 2023-11, Vol.29 (11), p.331-331, Article 331

2023

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First-principle study of shear deformation effect on Mg adsorption by monolayer SnS2

Journal of molecular modeling, 2023-12, Vol.29 (12), p.390-390, Article 390

2023

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First-principles study of the electronic structure and optical properties of C-doped SnS2

Journal of molecular modeling, 2024-02, Vol.30 (2), p.35-35, Article 35

2024

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Electronic structure and optical properties of nitrogen-doped antimonene under biaxial strain: first-principles study

Journal of molecular modeling, 2024-05, Vol.30 (5), p.143-143, Article 143

2024

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Effect of bending deformation on the electronic and optical properties of O atoms adsorbed by Be3N2

Journal of molecular modeling, 2024-05, Vol.30 (5), p.129-129, Article 129

2024

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Adsorption of Zn atoms by monolayer WS2 doped with different atoms X (X = O, Se, N, P, F, Cl): first principles study

Journal of molecular modeling, 2024-05, Vol.30 (5), p.146-146, Article 146

2024

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First-principles study of the effect of S-atom doping on the optoelectronic properties of stanene

Journal of molecular modeling, 2024-04, Vol.30 (4), p.115-115, Article 115

2024

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Effect of shear strain on the electronic and optical properties of Al-doped stanane

Journal of molecular modeling, 2024-01, Vol.30 (1), p.2-2, Article 2

2024

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Adsorption of Zn atoms by monolayer WS 2 doped with different atoms X (X = O, Se, N, P, F, Cl): first principles study

Journal of molecular modeling, 2024-04, Vol.30 (5), p.146

2024

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Effect of compressive strain on electronic and optical properties of Cr-doped monolayer WS 2

Journal of molecular modeling, 2024-04, Vol.30 (5), p.137

2024

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Effect of bending deformation on the electronic and optical properties of O atoms adsorbed by Be 3 N 2

Journal of molecular modeling, 2024-04, Vol.30 (5), p.129

2024

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First principle study of the effect of doping on the optoelectronic properties of Cr-adsorbed MoS2

Journal of molecular modeling, 2024-03, Vol.30 (3), p.63-63, Article 63

2024

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Effect of O-doping on electronic and optical properties of monolayer MoSe2 under shear deformation

Journal of molecular modeling, 2024-02, Vol.30 (2), p.27-27, Article 27

2024

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Effect of tensile deformation on the optoelectronic properties of black phosphine-doped lithium atoms

Journal of molecular modeling, 2024-03, Vol.30 (3), p.90-90, Article 90

2024

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First-principles study of the effect of doping on the optoelectronic properties of defective monolayers of MoSe2

Journal of molecular modeling, 2024-02, Vol.30 (2), p.29-29, Article 29

2024

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The first-principles study on Mo-doped monolayer ReS2

Journal of molecular modeling, 2022-04, Vol.28 (4), p.93-93, Article 93

2022

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First-principles study of strain on BN-doped arsenene

Journal of molecular modeling, 2022, Vol.28 (7), p.190-190, Article 190

2022

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First-principles study on the mechanical properties of cement mortar modified with functionalized graphene oxide

Journal of molecular modeling, 2023-12, Vol.29 (12), p.362-362, Article 362

2023

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First-principles study of the effects of doping B, N, and O on the photoelectric properties of Cr adsorbed GaS

Journal of molecular modeling, 2024-03, Vol.30 (3), p.75-75, Article 75

2024

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The first-principles study on Mo-doped monolayer ReS 2

Journal of molecular modeling, 2022-03, Vol.28 (4), p.93

2022

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Effect of strain on the photoelectric properties of molybdenum ditelluride under vacancy defects: a DFT investigation

Effect of compressive strain on electronic and optical properties of Cr-doped monolayer WS2

Bending deformation modulation of the optoelectronic properties of molybdenum ditelluride doped with nonmetallic atoms X (X = B, C, N, O): a first-principles study

Electronic structure and optical properties of B-, N-, and BN-doped black phosphorene using the first-principles

Torsional deformation modulation of the electronic structure and optical properties of molybdenum ditelluride systems doped with halogen atoms X (X = F, Cl, Br, I): a first-principles study

Effect of strain on the electronic structure and optical properties of Cr-doped monolayer MoS2

First-principle study of shear deformation effect on Mg adsorption by monolayer SnS2

First-principles study of the electronic structure and optical properties of C-doped SnS2

Electronic structure and optical properties of nitrogen-doped antimonene under biaxial strain: first-principles study

Effect of bending deformation on the electronic and optical properties of O atoms adsorbed by Be3N2

Adsorption of Zn atoms by monolayer WS2 doped with different atoms X (X = O, Se, N, P, F, Cl): first principles study

First-principles study of the effect of S-atom doping on the optoelectronic properties of stanene

Effect of shear strain on the electronic and optical properties of Al-doped stanane

Adsorption of Zn atoms by monolayer WS 2 doped with different atoms X (X = O, Se, N, P, F, Cl): first principles study

Effect of compressive strain on electronic and optical properties of Cr-doped monolayer WS 2

Effect of bending deformation on the electronic and optical properties of O atoms adsorbed by Be 3 N 2

First principle study of the effect of doping on the optoelectronic properties of Cr-adsorbed MoS2

Effect of O-doping on electronic and optical properties of monolayer MoSe2 under shear deformation

Effect of tensile deformation on the optoelectronic properties of black phosphine-doped lithium atoms

First-principles study of the effect of doping on the optoelectronic properties of defective monolayers of MoSe2

The first-principles study on Mo-doped monolayer ReS2

First-principles study of strain on BN-doped arsenene

First-principles study on the mechanical properties of cement mortar modified with functionalized graphene oxide

First-principles study of the effects of doping B, N, and O on the photoelectric properties of Cr adsorbed GaS

The first-principles study on Mo-doped monolayer ReS 2

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