Litcius/Paper detail

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

2023Colloids and Surfaces A Physicochemical and Engineering Aspects15 citationsDOI

Topics & Concepts

AdsorptionDopingDensity functional theoryMetalBand gapTransition metalChemistryMaterials scienceInorganic chemistryAnalytical Chemistry (journal)Physical chemistryComputational chemistryOrganic chemistryOptoelectronicsCatalysisGas Sensing Nanomaterials and SensorsZnO doping and propertiesBoron and Carbon Nanomaterials Research
Adsorption of HCN, HNC and CH3CN toxic gases on the M-doped (M = Cr, Fe, Ni and Zn) GaNNS: A DFT-D study | Litcius