A DFT study of Mg9O9 nanoring for gas sensing and removal applications

Author:

Sainda Riddhi,Chodvadiya DarshilORCID,Jha Prafulla K.ORCID

Funder

Department of Science and Technology, Ministry of Science and Technology, India

Science and Engineering Research Board

Publisher

Elsevier BV

Reference48 articles.

1. An ab-initio study of the C18 nanocluster for hazardous gas sensor application;Vadalkar;ChemistrySelect,2022

2. Adsorption performance of C12, B6N6 and Al6N6 nanoclusters towards hazardous gas molecules: A DFT investigation for gas sensing and removal application;Patel;J. Mol. Liq.,2022

3. Improved gas adsorption on functionalized aluminene surface: A first-principles study;Pandey;Appl. Surf. Sci.,2020

4. A DFT study on Pt doped (4,0) SWCNT: CO adsorption and sensing;Demir;Appl. Surf. Sci.,2020

5. TM-doped B12N12 nano-cage (TM = Mn, Fe) as a sensor for CO, NO, and NH3 gases: A DFT and TD-DFT study;Ammar;Mater. Today Commun.,2020

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