Adsorption and desorption of acetone by TiO2 clusters: Transition state theory and sensing analysis

Adsorption and desorption of acetone by TiO2 clusters: Transition state theory and sensing analysis

TiO2 cluster sensitivity to acetone adsorption using transition state theory is investigated. Ti10O20 cluster is used to perform the calculations using density functional theory with dispersion corrections. Adsorption state and transition state are calculated via thermodynamic energies, i.e., Gibbs...

Full description

Bibliographic Details
Main Authors: Mudar Ahmed Abdulsattar, Tasneem Hassan Mahmood, Hussein Hakim Abed, Hayder M. Abduljalil
Format: Article
Language:English
Published: KeAi Communications Co., Ltd. 2023-10-01
Series:ChemPhysMater
Subjects:
TiO2
Acetone
Transition state
Sensor
Density functional theory
Online Access:http://www.sciencedirect.com/science/article/pii/S2772571523000244

Internet

http://www.sciencedirect.com/science/article/pii/S2772571523000244

Similar Items