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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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Magnetic resonance imaging (MRI) compatible ZrX (X = Hf, Mo and Ru) alloys with enhanced mechanical properties as alternative biomedical applications

Scripta materialia, 2020-03, Vol.178, p.82-85

2020

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Studying the varied shapes of gold clusters by an elegant optimization algorithm that hybridizes the density functional tight-binding theory and the density functional theory

Computer physics communications, 2017-11, Vol.220, p.143-149

2017

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Investigation of Melting Dynamics of Hafnium Clusters

Journal of chemical information and modeling, 2017-03, Vol.57 (3), p.517-528

2017

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Tool-Emitted Sound Signal Decomposition Using Wavelet and Empirical Mode Decomposition Techniques—A Comparison

Symmetry (Basel), 2024-09, Vol.16 (9), p.1223

2024

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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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Molecular dynamics simulations and photoluminescence measurements of annealed ZnO surfaces

Physica. E, Low-dimensional systems & nanostructures, 2017-06, Vol.90, p.28-36

2017

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X-ray diffraction experiments, luminescence measurements and first-principles GGA+U calculations on YTaO4

Computational materials science, 2013-09, Vol.77, p.13-18

2013

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Nanoscale Continuum Modelling of Carbon Nanotubes by Polyhedral Finite Elements

Journal of nanomaterials, 2016-01, Vol.2016 (2016), p.1-9

2016

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Adsorption and decomposition of H 2 S on C 2 N sheet with embedded manganese atom: First-principles calculations

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

2022

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First-principles studies on the superconductivity of aluminene

Applied surface science, 2018-07, Vol.445, p.161-166

2018

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Strain-Induced SiP–PtS2 Heterostructure with Fast Carrier Transport for Boosted Photocatalytic Hydrogen Conversion

Journal of physical chemistry. C, 2023-07, Vol.127 (26), p.12760-12769

2023

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Stabilizing XPbI (X = MA, FA and Cs) cubic perovskites by monolayer AgSe deposition

New journal of chemistry, 2022-01, Vol.46 (3), p.1329-1338

2022

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Stabilizing XPbI 3 (X = MA, FA and Cs) cubic perovskites by monolayer Ag 4 Se 2 deposition

New journal of chemistry, 2022-01, Vol.46 (3), p.1329-1338

2022

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Effects of oxygen variation on the improved structural stability, electronic and optical properties of ZnTeO compounds

Journal of physics. Condensed matter, 2020-05, Vol.32 (22), p.225701-225701

2020

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Mechanical and electronic properties of graphitic carbon nitride sheet: First-principles calculations

Solid state communications, 2016-12, Vol.248, p.144-150

2016

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Strain-Induced SiP–PtS 2 Heterostructure with Fast Carrier Transport for Boosted Photocatalytic Hydrogen Conversion

Journal of physical chemistry. C, 2023-07, Vol.127 (26), p.12760-12769

2023

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Electronic and magnetic properties of RuTe2, Janus RuSTe and Mn−RuTe2 nanosheets: First-principles investigation

Materials today communications, 2022-03, Vol.30, Article 103176

2022

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Stabilizing XPbI3 (X = MA, FA and Cs) cubic perovskites by monolayer Ag4Se2 deposition

New journal of chemistry, 2022-01, Vol.46 (3), p.1329-1338

2022

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Frequency dependent linear and nonlinear optical properties of compositionally tuned inorganic CsSnX (X = Br, I) composites

Journal of alloys and compounds, 2019-03, Vol.779, p.497-504

2019

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First-principles investigation of graphitic carbon nitride monolayer with embedded Fe atom

Surface science, 2018-01, Vol.667, p.112-120

2018

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Ultraviolet enhanced inorganic graphenylene-like ZnMgX2 (X=O, S) for sensitive and reversible detection of toxic formaldehyde at room temperature: A first-principles study

Surfaces and interfaces, 2024-01, Vol.44, p.103722, Article 103722

2024

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Constructing trifunctional MoTe/As van der Waals heterostructures for versatile energy applications

New journal of chemistry, 2022-10, Vol.46 (42), p.2172-2181

2022

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Constructing trifunctional MoTe 2 /As van der Waals heterostructures for versatile energy applications

New journal of chemistry, 2022-10, Vol.46 (42), p.20172-20181

2022

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Electronic and magnetic properties of Ru Te 2 , Janus RuSTe and Mn − Ru Te 2 nanosheets: First-principles investigation

Materials today communications, 2022-03, Vol.30, p.103176, Article 103176

2022

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

Magnetic resonance imaging (MRI) compatible ZrX (X = Hf, Mo and Ru) alloys with enhanced mechanical properties as alternative biomedical applications

Studying the varied shapes of gold clusters by an elegant optimization algorithm that hybridizes the density functional tight-binding theory and the density functional theory

Investigation of Melting Dynamics of Hafnium Clusters

Tool-Emitted Sound Signal Decomposition Using Wavelet and Empirical Mode Decomposition Techniques—A Comparison

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

Molecular dynamics simulations and photoluminescence measurements of annealed ZnO surfaces

X-ray diffraction experiments, luminescence measurements and first-principles GGA+U calculations on YTaO4

Nanoscale Continuum Modelling of Carbon Nanotubes by Polyhedral Finite Elements

Adsorption and decomposition of H 2 S on C 2 N sheet with embedded manganese atom: First-principles calculations

First-principles studies on the superconductivity of aluminene

Strain-Induced SiP–PtS2 Heterostructure with Fast Carrier Transport for Boosted Photocatalytic Hydrogen Conversion

Stabilizing XPbI (X = MA, FA and Cs) cubic perovskites by monolayer AgSe deposition

Stabilizing XPbI 3 (X = MA, FA and Cs) cubic perovskites by monolayer Ag 4 Se 2 deposition

Effects of oxygen variation on the improved structural stability, electronic and optical properties of ZnTeO compounds

Mechanical and electronic properties of graphitic carbon nitride sheet: First-principles calculations

Strain-Induced SiP–PtS 2 Heterostructure with Fast Carrier Transport for Boosted Photocatalytic Hydrogen Conversion

Electronic and magnetic properties of RuTe2, Janus RuSTe and Mn−RuTe2 nanosheets: First-principles investigation

Stabilizing XPbI3 (X = MA, FA and Cs) cubic perovskites by monolayer Ag4Se2 deposition

Frequency dependent linear and nonlinear optical properties of compositionally tuned inorganic CsSnX (X = Br, I) composites

First-principles investigation of graphitic carbon nitride monolayer with embedded Fe atom

Ultraviolet enhanced inorganic graphenylene-like ZnMgX2 (X=O, S) for sensitive and reversible detection of toxic formaldehyde at room temperature: A first-principles study

Constructing trifunctional MoTe/As van der Waals heterostructures for versatile energy applications

Constructing trifunctional MoTe 2 /As van der Waals heterostructures for versatile energy applications

Electronic and magnetic properties of Ru Te 2 , Janus RuSTe and Mn − Ru Te 2 nanosheets: First-principles investigation

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