HCHO Sensing Mechanism of In4Sn3O12 Revealed by DRIFTS and DFT
- Resource Type
- Authors
- Tingqiang Yang; Anne Hemeryck; Suman Pokhrel; Wen Chen; Lutz Mädler; Udo Weimar; Nicolae Barsan
- Source
- Journal of Physical Chemistry C
Journal of Physical Chemistry C, 2023, ⟨10.1021/acs.jpcc.3c00686⟩
- Subject
- [CHIM.THEO]Chemical Sciences/Theoretical and/or physical chemistry
General Energy
[CHIM.MATE]Chemical Sciences/Material chemistry
Physical and Theoretical Chemistry
Surfaces, Coatings and Films
Electronic, Optical and Magnetic Materials
- Language
- ISSN
- 1932-7455
1932-7447
International audience; The combination of operando Diffuse Reflectance Infrared Fourier Transform Spectroscopy measurement and Density Functional Theory calculation reveals the counterintuitive HCHO sensing mechanism of In4Sn3O12. It is merely partial oxidation of HCHO into formate (or HCOOH) with medium activation energy (0.43–0.68 eV) and sufficient electron donation effect that is responsible for the sensor signal at the optimum temperature of 200 °C. The Sn (3a)-connected O is the active site and plays key roles in both HCHO adsorption and partial oxidation.