Adsorption of HCN, HNC and CH3CN toxic gases on the M-doped (M = Cr, Fe, Ni and Zn) GaNNS: A DFT-D study

Yekta, Melody; Zanjanchi, Mohammad Ali; Roohi, Hossein

doi:10.1016/j.colsurfa.2023.133120

Colloids and Surfaces A: Physicochemical and Engineering Aspect

2024

DOI: 10.1016/j.colsurfa.2023.133120

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Adsorption of HCN, HNC and CH3CN toxic gases on the M-doped (M = Cr, Fe, Ni and Zn) GaNNS: A DFT-D study

Melody Yekta,

Mohammad Ali Zanjanchi,

Hossein Roohi

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Cited by 4 publications

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Adsorption of HCN, HNC and CH3CN toxic gases on the M-doped (M = Cr, Fe, Ni and Zn) GaNNS: A DFT-D study

Cited by 4 publications

References 54 publications

Adsorption and detection analysis of metal clusters (Pt3, Rh3) modified WTe2 monolayers to dissolved gases (CO, CO2, H2, C2H2) in transformer oil: A density functional theory study

Adsorption and detection analysis of metal clusters (Pt3, Rh3) modified WTe2 monolayers to dissolved gases (CO, CO2, H2, C2H2) in transformer oil: A density functional theory study

First principles investigation on zigzag nanoribbons of X-Nitrides (X=B,Al,Ga) for hydrogen cyanide gas sensor

The 2024 release of the ExoMol database: Molecular line lists for exoplanet and other hot atmospheres

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