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Prediction of two-dimensional monochalcogenides: MoS and WS

Physics letters. A, 2019-08, Vol.383 (24), p.2914-2921

2019

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Quantitative Analysis of the Synergy of Doping and Nanostructuring of Oxide Photocatalysts

Materials, 2024-07, Vol.17 (14), p.3460

2024

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Electronic structure and morphology of thin surface alloy layers formed by deposition of Sn on Au(1 1 1)

Applied surface science, 2020-03, Vol.506, p.144606, Article 144606

2020

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Two-dimensional monolayers of arsenides and silicides of Mo and W: A first principles study

AIP Conference Proceedings, 2020, Vol.2265 (1)

2020

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Improved gas adsorption on functionalized aluminene surface: A first-principles study

Applied surface science, 2020-11, Vol.531, p.147364, Article 147364

2020

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Probing the martensite transition and thermoelectric properties of Co x TaZ (Z = Si, Ge, Sn and x = 1, 2): a study based on density functional theory

Journal of physics. Condensed matter, 2021-01, Vol.33 (4), p.45402

2021

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Probing the martensite transition and thermoelectric properties of CoxTaZ (Z = Si, Ge, Sn and x = 1, 2): a study based on density functional theory

Journal of physics. Condensed matter, 2020-10, Vol.33 (4)

2020

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Study of Adsorption of H2, CO and NO Gas Molecules on Molybdenum Sulfide and Tungsten Sulfide Monolayers from First-Principles Calculations

Surface science, 2021-12, Vol.714, p.1, Article 121910

2021

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Surface termination and thickness dependent magnetic coupling of Cr adlayers on Ni2MnGa(001) surfaces: An ab initio study

Journal of magnetism and magnetic materials, 2021-12, Vol.540, p.168398, Article 168398

2021

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Study of Adsorption of H 2 , CO and NO Gas Molecules on Molybdenum Sulfide and Tungsten Sulfide Monolayers from First-Principles Calculations

Surface science, 2021-12, Vol.714, p.121910, Article 121910

2021

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The effect of f-electrons on the structural phase transition, mechanical and electronic properties in light rare-earth bismuthides

Phase transitions, 2024-05, Vol.97 (4-5), p.229-239

2024

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Stacking-dependent electronic properties of aluminene based multilayer van der Waals heterostructures

Computational materials science, 2020-12, Vol.185, p.109952, Article 109952

2020

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Intercalation of transition metals in aluminene bi-layers: An ab initio study

The Journal of chemical physics, 2019-05, Vol.150 (19), p.194702-194702

2019

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High Performance Lithium‐Ion Batteries Using Layered 2H‐MoTe2 as Anode

Small (Weinheim an der Bergstrasse, Germany), 2020-09, Vol.16 (38), p.e2002669-n/a

2020

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Unusual magnetic and electronic properties of Al-substituted Ga2MnNi: An ab initio study

Journal of magnetism and magnetic materials, 2019-11, Vol.490, p.165521, Article 165521

2019

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Probing the possibility of coexistence of martensite transition and half-metallicity in Ni and Co-based full-Heusler alloys: An ab initio calculation

Physical review. B, 2016-05, Vol.93 (18), Article 184102

2016

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Ab Initio Study of Adsorption of Fission Gas Atoms Xe and Kr on MoS2 Monolayer Functionalized with 3d Transition Metals

Journal of physical chemistry. C, 2021-01, Vol.125 (2), p.1493-1508

2021

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Strain induced magnetism and half-metallicity in alkali metal substituted aluminene

AIP Conference Proceedings, 2019, Vol.2115 (1)

2019

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Ab Initio Study of Adsorption of Fission Gas Atoms Xe and Kr on MoS 2 Monolayer Functionalized with 3d Transition Metals

Journal of physical chemistry. C, 2021-01, Vol.125 (2), p.1493-1508

2021

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Probing the martensite transition and thermoelectric properties of Co x Ta Z ( Z = Si, Ge, Sn and x = 1, 2): a study based on density functional theory

Journal of physics. Condensed matter, 2020-10, Vol.33 (4)

2020

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First-principles study of adsorption of 3d and 4d transition metal atoms on aluminene

Computational Condensed Matter, 2018-09, Vol.16, p.e00319, Article e00319

2018

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High Performance Lithium‐Ion Batteries Using Layered 2H‐MoTe 2 as Anode

Small (Weinheim an der Bergstrasse, Germany), 2020-09, Vol.16 (38)

2020

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Isoelectronically substituted group-III based monolayers: An ab initio study

Physical review. B, 2020-08, Vol.102 (8), p.1, Article 085424

2020

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An Excellent and Fast Anodes for Lithium-Ion Batteries Based on the 1T′-MoTe2 Phase Material

ACS applied energy materials, 2022-08, Vol.5 (8), p.9625-9640

2022

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An Excellent and Fast Anodes for Lithium-Ion Batteries Based on the 1T′-MoTe 2 Phase Material

ACS applied energy materials, 2022-08, Vol.5 (8), p.9625-9640

2022

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Prediction of two-dimensional monochalcogenides: MoS and WS

Quantitative Analysis of the Synergy of Doping and Nanostructuring of Oxide Photocatalysts

Electronic structure and morphology of thin surface alloy layers formed by deposition of Sn on Au(1 1 1)

Two-dimensional monolayers of arsenides and silicides of Mo and W: A first principles study

Improved gas adsorption on functionalized aluminene surface: A first-principles study

Probing the martensite transition and thermoelectric properties of Co x TaZ (Z = Si, Ge, Sn and x = 1, 2): a study based on density functional theory

Probing the martensite transition and thermoelectric properties of CoxTaZ (Z = Si, Ge, Sn and x = 1, 2): a study based on density functional theory

Study of Adsorption of H2, CO and NO Gas Molecules on Molybdenum Sulfide and Tungsten Sulfide Monolayers from First-Principles Calculations

Surface termination and thickness dependent magnetic coupling of Cr adlayers on Ni2MnGa(001) surfaces: An ab initio study

Study of Adsorption of H 2 , CO and NO Gas Molecules on Molybdenum Sulfide and Tungsten Sulfide Monolayers from First-Principles Calculations

The effect of f-electrons on the structural phase transition, mechanical and electronic properties in light rare-earth bismuthides

Stacking-dependent electronic properties of aluminene based multilayer van der Waals heterostructures

Intercalation of transition metals in aluminene bi-layers: An ab initio study

High Performance Lithium‐Ion Batteries Using Layered 2H‐MoTe2 as Anode

Unusual magnetic and electronic properties of Al-substituted Ga2MnNi: An ab initio study

Probing the possibility of coexistence of martensite transition and half-metallicity in Ni and Co-based full-Heusler alloys: An ab initio calculation

Ab Initio Study of Adsorption of Fission Gas Atoms Xe and Kr on MoS2 Monolayer Functionalized with 3d Transition Metals

Strain induced magnetism and half-metallicity in alkali metal substituted aluminene

Ab Initio Study of Adsorption of Fission Gas Atoms Xe and Kr on MoS 2 Monolayer Functionalized with 3d Transition Metals

Probing the martensite transition and thermoelectric properties of Co x Ta Z ( Z = Si, Ge, Sn and x = 1, 2): a study based on density functional theory

First-principles study of adsorption of 3d and 4d transition metal atoms on aluminene

High Performance Lithium‐Ion Batteries Using Layered 2H‐MoTe 2 as Anode

Isoelectronically substituted group-III based monolayers: An ab initio study

An Excellent and Fast Anodes for Lithium-Ion Batteries Based on the 1T′-MoTe2 Phase Material

An Excellent and Fast Anodes for Lithium-Ion Batteries Based on the 1T′-MoTe 2 Phase Material

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