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Adsorption and decomposition of H2S on C2N sheet with embedded manganese atom: First-principles calculations

Chemical physics, 2022-03, Vol.555, Article 111443

2022

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A tetragonal phase Mn2B2 sheet: a stable room temperature ferromagnet with sizable magnetic anisotropy

Physical chemistry chemical physics : PCCP, 2020-05, Vol.22 (19), p.10893-10899

2020

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Unveiling the adsorption, activation and reduction of CO2 via inorganic, biphenylene akin Pt-doped ZnMgO2

Inorganic chemistry communications, 2024-04, Vol.162, p.112244, Article 112244

2024

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First-principles and Monte Carlo investigation of magnetic properties of two-dimensional transition metal alloyed boron-carbide CrFeBC sheet

Computational materials science, 2022-02, Vol.202, Article 110964

2022

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First-principles studies on the effects of halogen adsorption on monolayer antimony

Physical chemistry chemical physics : PCCP, 2017-09, Vol.19 (37), p.25786-25795

2017

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New stable ultrawide bandgap As2O3 semiconductor materials

JPhys materials, 2023-04, Vol.6 (2), p.025003

2023

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Geometric and electric properties of graphitic carbon nitride sheet with embedded single manganese atom under bi-axial tensile strain

Current Applied Physics, 2016, 16(8), , pp.809-815

2016

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Theoretical design of porous dodecagonal germanium carbide (d-GeC) monolayer

RSC advances, 2023-01, Vol.13 (5), p.329-3294

2023

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Antiferromagnetic semiconductor in porous boron nitride (B6N6) sheet: First-principles investigation

Computational and theoretical chemistry, 2021-03, Vol.1197, p.113155, Article 113155

Abdullahi, Yusuf Zuntu

2021

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Stability, electronic and magnetic properties of boronphosphide (BP) graphenylene induced by interstitial atomic doping

The Journal of physics and chemistry of solids, 2024-11, Vol.194, p.112256, Article 112256

2024

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New stable inorganic BX (X= P, As, Sb) biphenylene and graphenylene monolayers: A first-principles investigation

Computational materials science, 2024-06, Vol.242, p.113103, Article 113103

2024

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First-principles calculations to investigate the effects of strain, electric field, and atom impurity on the electronic and magnetic properties of RuX2 (X = S, Se) nanosheets

Physical chemistry chemical physics : PCCP, 2021-08, Vol.23 (30), p.16316-16323

2021

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Stability and electronic properties of XO (X = Be, Mg, Zn, Cd) biphenylene and graphenylene networks: A first-principles study

Applied physics letters, 2023-12, Vol.123 (25)

2023

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First-principles calculations to investigate the effects of strain, electric field, and atom impurity on the electronic and magnetic properties of RuX (X = S, Se) nanosheets

Physical chemistry chemical physics : PCCP, 2021-08, Vol.23 (3), p.16316-16323

2021

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First-principles calculations to investigate the effects of strain, electric field, and atom impurity on the electronic and magnetic properties of RuX 2 (X = S, Se) nanosheets

Physical chemistry chemical physics : PCCP, 2021-08, Vol.23 (30), p.16316-16323

2021

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Role of Inter-site Hubbard Interactions in MnS Monolayer: DFT+U+V Investigation

Gazi University Journal of Science, 2024-09, Vol.37 (3), p.1552-1559

Abdullahi, Yusuf Zuntu

2024

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Formation energy, mechanical and electronic properties of buckled heptazine (C6N8) sheet: First-principles calculations

Computational Condensed Matter, 2022-03, Vol.30, p.e00619, Article e00619

Abdullahi, Yusuf Zuntu

2022

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Exploring room-temperature ferromagnetism in WXBC (X = W, Mn, Fe) monolayers

RSC advances, 2022-10, Vol.12 (44), p.28433-2844

2022

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Electronic and magnetic properties of RuO2 monolayer: DFT+U investigation

Computational Condensed Matter, 2021-12, Vol.29, Article e00614

Abdullahi, Yusuf Zuntu

2021

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Metal-decorated boron phosphide (BP) biphenylene and graphenylene networks for ultrahigh hydrogen storage

International journal of hydrogen energy, 2024-05, Vol.66, p.33-39

2024

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Boron phosphide (BP) biphenylene and graphenylene networks as anode and anchoring materials for Li/Na-ion and Li/Na–S batteries

Applied surface science, 2024-07, Vol.662, p.160096, Article 160096

2024

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Stability, electronic and optical properties of buckled XO (X = Ge, Cu) graphenylene monolayers: A first-principles study

Solid state communications, 2024-05, Vol.383, p.115483, Article 115483

2024

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Electronic, magnetic and universality properties of room-temperature antiferromagnet Fe 2 O 3 monolayer

The Journal of physics and chemistry of solids, 2024-09, Vol.192, p.112080, Article 112080

2024

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Dodecagonal Zinc Oxide ( d - Zn O ) Monolayer for Water Desalination and Detection of Toxic Gases

Physical review applied, 2023-01, Vol.19 (1), Article 014019

2023

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Negative thermal expansion of group III-Nitride monolayers

Journal of physics. D, Applied physics, 2022-08, Vol.55 (31), p.315303

2022

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Adsorption and decomposition of H2S on C2N sheet with embedded manganese atom: First-principles calculations

A tetragonal phase Mn2B2 sheet: a stable room temperature ferromagnet with sizable magnetic anisotropy

Unveiling the adsorption, activation and reduction of CO2 via inorganic, biphenylene akin Pt-doped ZnMgO2

First-principles and Monte Carlo investigation of magnetic properties of two-dimensional transition metal alloyed boron-carbide CrFeBC sheet

First-principles studies on the effects of halogen adsorption on monolayer antimony

New stable ultrawide bandgap As2O3 semiconductor materials

Geometric and electric properties of graphitic carbon nitride sheet with embedded single manganese atom under bi-axial tensile strain

Theoretical design of porous dodecagonal germanium carbide (d-GeC) monolayer

Antiferromagnetic semiconductor in porous boron nitride (B6N6) sheet: First-principles investigation

Stability, electronic and magnetic properties of boronphosphide (BP) graphenylene induced by interstitial atomic doping

New stable inorganic BX (X= P, As, Sb) biphenylene and graphenylene monolayers: A first-principles investigation

First-principles calculations to investigate the effects of strain, electric field, and atom impurity on the electronic and magnetic properties of RuX2 (X = S, Se) nanosheets

Stability and electronic properties of XO (X = Be, Mg, Zn, Cd) biphenylene and graphenylene networks: A first-principles study

First-principles calculations to investigate the effects of strain, electric field, and atom impurity on the electronic and magnetic properties of RuX (X = S, Se) nanosheets

First-principles calculations to investigate the effects of strain, electric field, and atom impurity on the electronic and magnetic properties of RuX 2 (X = S, Se) nanosheets

Role of Inter-site Hubbard Interactions in MnS Monolayer: DFT+U+V Investigation

Formation energy, mechanical and electronic properties of buckled heptazine (C6N8) sheet: First-principles calculations

Exploring room-temperature ferromagnetism in WXBC (X = W, Mn, Fe) monolayers

Electronic and magnetic properties of RuO2 monolayer: DFT+U investigation

Metal-decorated boron phosphide (BP) biphenylene and graphenylene networks for ultrahigh hydrogen storage

Boron phosphide (BP) biphenylene and graphenylene networks as anode and anchoring materials for Li/Na-ion and Li/Na–S batteries

Stability, electronic and optical properties of buckled XO (X = Ge, Cu) graphenylene monolayers: A first-principles study

Electronic, magnetic and universality properties of room-temperature antiferromagnet Fe 2 O 3 monolayer

Dodecagonal Zinc Oxide ( d - Zn O ) Monolayer for Water Desalination and Detection of Toxic Gases

Negative thermal expansion of group III-Nitride monolayers

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