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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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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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First-principles investigation of nonmetal doped single-layer BiOBr as a potential photocatalyst with a low recombination rate

Physical chemistry chemical physics : PCCP, 2020-07, Vol.22 (27), p.15354-15364

2020

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Antiferromagnetism in GaS monolayer doped with TM-TM atom pairs (TM = V, Cr, Mn, and Fe)

Physical chemistry chemical physics : PCCP, 2024-07, Vol.26 (27), p.18657-18666

2024

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Half-metallic and magnetic semiconductor behavior in CdO monolayer induced by acceptor impurities

Physical chemistry chemical physics : PCCP, 2023-05, Vol.25 (2), p.14266-14273

2023

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Exploring a silicene monolayer as a promising sensor platform to detect and capture NO and CO gas

RSC advances, 2022-03, Vol.12 (16), p.9828-9835

2022

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Effect of adsorption and substitutional B doping at different concentrations on the electronic and magnetic properties of a BeO monolayer: a first-principles study

Physical chemistry chemical physics : PCCP, 2021-11, Vol.23 (43), p.24922-24931

2021

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Rich essential properties of silicon-substituted graphene nanoribbons: a comprehensive computational study

Physical chemistry chemical physics : PCCP, 2024-06, Vol.26 (22), p.15939-15956

2024

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Electronic and magnetic properties of GeS monolayer effected by point defects and doping

RSC advances, 2024-01, Vol.14 (4), p.2481-249

2024

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Exploring the electronic band gap of Janus MoSeO and WSeO monolayers and their heterostructures

New journal of chemistry, 2021-11, Vol.45 (44), p.2776-2786

2021

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Vacancy-and doping-mediated electronic and magnetic properties of PtSSe monolayer towards optoelectronic and spintronic applications

RSC advances, 2024-06, Vol.14 (27), p.1967-1975

2024

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Antiferromagnetic ordering in the TM-adsorbed AlN monolayer (TM = V and Cr)

RSC advances, 2022-06, Vol.12 (26), p.16677-16683

2022

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Novel electronic and magnetic features in XC (X = Si and Ge) monolayers induced by doping with group-VA atoms

New journal of chemistry, 2023-02, Vol.47 (6), p.2787-2796

2023

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First-principles study of indium nitride monolayers doped with alkaline earth metals

RSC advances, 2023-11, Vol.13 (48), p.33634-33643

2023

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Doping-mediated electronic and magnetic properties of graphene-like ionic NaX (X = F and Cl) monolayers

Physical chemistry chemical physics : PCCP, 2023-12, Vol.25 (47), p.32569-32577

2023

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Theoretical investigation of the MXene precursors MoxV4-xAlC3 (0 ≤ x ≤ 4)

Scientific reports, 2023-02, Vol.13 (1), p.3271-3271, Article 3271

2023

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n/p-Doping in a buckled honeycomb InAs monolayer using IVA-group impurities

Nanoscale advances, 2024-03, Vol.6 (6), p.1678-1687

2024

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Novel germanene-arsenene and germanene-antimonene lateral heterostructures: interline-dependent electronic and magnetic properties

Physical chemistry chemical physics : PCCP, 2023-05, Vol.25 (2), p.1452-1451

2023

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First-principles study of SiC and GeC monolayers with adsorbed non-metal atoms

RSC advances, 2023-05, Vol.13 (22), p.14879-14886

2023

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Structural, electronic and optical properties of pristine and functionalized MgO monolayers: a first principles study

RSC advances, 2020-11, Vol.1 (66), p.4411-442

2020

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Semiconductor and topological phases in lateral heterostructures constructed from germanene and AsSb monolayers

RSC advances, 2023-06, Vol.13 (26), p.17968-17977

2023

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A new family of NaTMGe (TM = 3d transition metals) half-Heusler compounds: the role of TM modification

RSC advances, 2022-09, Vol.12 (4), p.26418-26427

2022

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Tuning MoSO monolayer properties for optoelectronic and spintronic applications: effect of external strain, vacancies and doping

RSC advances, 2021-11, Vol.11 (56), p.35614-35623

2021

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Controlling the electronic and magnetic properties of the GeAs monolayer by generating Ge vacancies and doping with transition-metal atoms

Nanoscale advances, 2024-07, Vol.6 (14), p.362-3611

2024

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First-principles prediction of chemically functionalized InN monolayers: electronic and optical properties

RSC advances, 2020-03, Vol.1 (18), p.1731-1739

2020

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

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

First-principles investigation of nonmetal doped single-layer BiOBr as a potential photocatalyst with a low recombination rate

Antiferromagnetism in GaS monolayer doped with TM-TM atom pairs (TM = V, Cr, Mn, and Fe)

Half-metallic and magnetic semiconductor behavior in CdO monolayer induced by acceptor impurities

Exploring a silicene monolayer as a promising sensor platform to detect and capture NO and CO gas

Effect of adsorption and substitutional B doping at different concentrations on the electronic and magnetic properties of a BeO monolayer: a first-principles study

Rich essential properties of silicon-substituted graphene nanoribbons: a comprehensive computational study

Electronic and magnetic properties of GeS monolayer effected by point defects and doping

Exploring the electronic band gap of Janus MoSeO and WSeO monolayers and their heterostructures

Vacancy-and doping-mediated electronic and magnetic properties of PtSSe monolayer towards optoelectronic and spintronic applications

Antiferromagnetic ordering in the TM-adsorbed AlN monolayer (TM = V and Cr)

Novel electronic and magnetic features in XC (X = Si and Ge) monolayers induced by doping with group-VA atoms

First-principles study of indium nitride monolayers doped with alkaline earth metals

Doping-mediated electronic and magnetic properties of graphene-like ionic NaX (X = F and Cl) monolayers

Theoretical investigation of the MXene precursors MoxV4-xAlC3 (0 ≤ x ≤ 4)

n/p-Doping in a buckled honeycomb InAs monolayer using IVA-group impurities

Novel germanene-arsenene and germanene-antimonene lateral heterostructures: interline-dependent electronic and magnetic properties

First-principles study of SiC and GeC monolayers with adsorbed non-metal atoms

Structural, electronic and optical properties of pristine and functionalized MgO monolayers: a first principles study

Semiconductor and topological phases in lateral heterostructures constructed from germanene and AsSb monolayers

A new family of NaTMGe (TM = 3d transition metals) half-Heusler compounds: the role of TM modification

Tuning MoSO monolayer properties for optoelectronic and spintronic applications: effect of external strain, vacancies and doping

Controlling the electronic and magnetic properties of the GeAs monolayer by generating Ge vacancies and doping with transition-metal atoms

First-principles prediction of chemically functionalized InN monolayers: electronic and optical properties

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