Adsorption performance of CO, NO and NH3 hazardous gas molecules over B9N9 and Al9N9 nanorings: Acumen from density functional theory

Author:

Panchal JayORCID,Gauswami ApekshaORCID,Chodvadiya DarshilORCID,Jadeja HarendrasinhORCID,Jha Prafulla K.ORCID

Funder

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

Science and Engineering Research Board

Publisher

Elsevier BV

Subject

Condensed Matter Physics,General Materials Science

Reference58 articles.

1. 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

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

3. 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

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

5. Two-dimensional delafossite cobalt oxyhydroxide as a toxic gas sensor;Upadhyay;Appl. Surf. Sci.,2019

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