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Arsenene nanoribbons for sensing NH3 and PH3 gas molecules – A first-principles perspective

Applied surface science, 2019-03, Vol.469, p.173-180

2019

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Novel orthorhombic silicane nanosheet as a sensing material for acrolein and propanol—a first-principles investigation

Semiconductor science and technology, 2023-02, Vol.38 (2), p.25003

2023

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NO adsorption studies on silicene nanosheet: DFT investigation

Applied surface science, 2015-10, Vol.351, p.662-672

2015

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Acrylonitrile vapor adsorption studies on armchair arsenene nanoribbon based on DFT study

Applied surface science, 2019-11, Vol.494, p.1148-1155

2019

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Acetaminophen and mepirizole molecular adsorption studies on novel ζ - phosphorene nanotube based on first-principles investigation

Molecular simulation, 2023-01, Vol.49 (1), p.99-108

2023

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Twisted bilayer arsenene sheets as a chemical sensor for toluene and M-xylene vapours – A DFT investigation

Journal of molecular graphics & modelling, 2021-12, Vol.109, p.108034-108034, Article 108034

2021

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Molecular adsorption studies of formaldehyde and methanol on novel twisted bilayer beta phosphorene sheets - a first-principles investigation

Molecular physics, 2021-12, Vol.119 (24)

2021

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Investigation on adsorption properties of CO and NO gas molecules on aluminene nanosheet: A density functional application

Materials science & engineering. B, Solid-state materials for advanced technology, 2018-03, Vol.229, p.193-200

2018

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CS2 And H2S adsorption studies on novel hex-star phosphorene nanosheet - a DFT perspective

Molecular physics, 2022-05, Vol.120 (10)

2022

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Sorption studies of sulfadimethoxine and tetracycline molecules on β-antimonene nanotube - A first-principles insight

Journal of molecular graphics & modelling, 2021-11, Vol.108, p.107988-107988, Article 107988

2021

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Alcohol molecules adsorption on graphane nanosheets – A first-principles investigation

Applied surface science, 2018-05, Vol.441, p.734-743

2018

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Investigation of NH3 adsorption behavior on graphdiyne nanosheet and nanotubes: A first-principles study

Journal of molecular liquids, 2018-01, Vol.249, p.24-32

2018

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Interaction studies of glycine, acetate and methylamine on β-tellurene nanoribbon – A first-principles analysis

Journal of molecular graphics & modelling, 2021-06, Vol.105, p.107895-107895, Article 107895

2021

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N-nitrosodimethylamine interaction studies on gamma phosphorene sheets emitted from rubber fumes – A first-principles study

Physica. B, Condensed matter, 2020-01, Vol.577, p.411808, Article 411808

2020

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M-cymene and m-xylene adsorption studies on hex-star arsenene nanosheets - a DFT investigation

Molecular physics, 2022-12, Vol.120 (23)

2022

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Detection of trace level of hazardous phosgene gas on antimonene nanotube based on first-principles method

Journal of molecular graphics & modelling, 2019-05, Vol.88, p.32-40

2019

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Methyl and Ethyl mercaptan molecular adsorption studies on novel Kagome arsenene nanosheets - A DFT outlook

Physica. B, Condensed matter, 2020-06, Vol.586, p.412135, Article 412135

2020

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MoSe2 nanosheets for detection of methanol and ethanol vapors: A DFT study

Journal of molecular graphics & modelling, 2018-05, Vol.81, p.97-105

2018

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Expedition on surface adsorption of N-nitrosodiethylamine from rubber fumes on blue phosphorene sheets - a first-principles insight

Molecular physics, 2020-07, Vol.118 (14), p.e1699184

2020

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A novel approach for detection of NO2 and SO2 gas molecules using graphane nanosheet and nanotubes - A density functional application

Diamond and related materials, 2018-05, Vol.85, p.53-62

2018

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Interaction of alcohols on monolayer stanane nanosheet: A first-principles investigation

Applied surface science, 2017-10, Vol.419, p.9-15

2017

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Chlorobenzene and 1, 4-dichlorobenzene adsorption studies on θ-Arsenene nanosheet - a first-principles analysis

Molecular physics, 2021-06, Vol.119 (12), p.e1936248

2021

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DFT study on the adsorption properties of aldrin and dieldrin molecules on blue phosphorene nanotubes

Physica. B, Condensed matter, 2022-02, Vol.626, p.413545, Article 413545

2022

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Dimethyl and ethyl methyl ether adsorption studies on β-antimonene nanosheets - a first-principles study

Molecular simulation, 2020-11, Vol.46 (17), p.1354-1361

2020

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Novel cubic silicane nanosheet as an adsorbing medium for dimethylbutane and methylhexane molecules - a first-principles study

Molecular physics, 2023-03, Vol.121 (5)

2023

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