Investigating the adsorption performance of CO 2 , SO 2 , NH 3 and CH 4 molecules on Sb 3 (TM)O 6 (TM = Sc, Ti, V, Cr, Mn, Fe, Ni, and Co) clusters for gas-sensing applications
Abstract
gases is calculated. The properties and charge analysis of fully loaded clusters are studied through quantum topology of atoms in molecule (QTAIM) and charge-transfer integrals.
Fields of Study & Subjects
Gas Sensing Nanomaterials and Sensors
Catalysis and Oxidation Reactions
Metal-Organic Frameworks: Synthesis and Applications
Publication details
- Journal / source
- RSC Advances
- Publisher
- Royal Society of Chemistry (RSC)
- Volume
- 16
- Issue
- 7
- Pages
- 6164–6188
- Publication date
- 1 January 2026
- Language
- EN