Deciphering the electrochemical sensing capability of novel Ga<sub>12</sub>As<sub>12</sub> nanocluster towards chemical warfare phosgene gas: insights from DFT

Javed, Muhammad; Khan, Muhammad Usman; Hussain, Riaz; Ahmed, Sarfraz; Ahamad, Tansir

doi:10.1039/d3ra05086f

RSC Adv.

2023

DOI: 10.1039/d3ra05086f

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Deciphering the electrochemical sensing capability of novel Ga₁₂As₁₂ nanocluster towards chemical warfare phosgene gas: insights from DFT

Muhammad Javed,

Muhammad Usman Khan,

Riaz Hussain

et al.

Abstract: The electrochemical sensing capability of novel Ga12As12 nanocluster towards chemical warfare phosgene gas (highly toxic for living things and the environment) is successfully explored employing DFT and TD-DFT computations.

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Cited by 4 publications

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Deciphering the electrochemical sensing capability of novel Ga₁₂As₁₂ nanocluster towards chemical warfare phosgene gas: insights from DFT

Abstract: The electrochemical sensing capability of novel Ga12As12 nanocluster towards chemical warfare phosgene gas (highly toxic for living things and the environment) is successfully explored employing DFT and TD-DFT computations.

Cited by 4 publications

References 78 publications

Deciphering the detection and electrochemical sensing of the environmental pollutant CO gas with Ga12As12 and Al12As12 nanostructured materials: an insight from first-principle calculations

Deciphering the detection and electrochemical sensing of the environmental pollutant CO gas with Ga12As12 and Al12As12 nanostructured materials: an insight from first-principle calculations

Elucidating the mechanistic sensing capability of novel tetragonal graphene quantum dot towards tobacco alkaloids: a DFT study

Chemically effect of small molecules (X = CF3, COOH, NH2, NO2) functionalized covalent organic framework (X–COF) as sensors for glyphosate: A computational study

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Deciphering the electrochemical sensing capability of novel Ga12As12 nanocluster towards chemical warfare phosgene gas: insights from DFT

Abstract: The electrochemical sensing capability of novel Ga12As12 nanocluster towards chemical warfare phosgene gas (highly toxic for living things and the environment) is successfully explored employing DFT and TD-DFT computations.

Cited by 4 publications

References 78 publications

Deciphering the detection and electrochemical sensing of the environmental pollutant CO gas with Ga12As12 and Al12As12 nanostructured materials: an insight from first-principle calculations

Deciphering the detection and electrochemical sensing of the environmental pollutant CO gas with Ga12As12 and Al12As12 nanostructured materials: an insight from first-principle calculations

Elucidating the mechanistic sensing capability of novel tetragonal graphene quantum dot towards tobacco alkaloids: a DFT study

Chemically effect of small molecules (X = CF3, COOH, NH2, NO2) functionalized covalent organic framework (X–COF) as sensors for glyphosate: A computational study

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Product

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Deciphering the electrochemical sensing capability of novel Ga₁₂As₁₂ nanocluster towards chemical warfare phosgene gas: insights from DFT