HCHO Sensing Mechanism of In4Sn3O12 Revealed by DRIFTS and DFT
| File | Description | Size | Format | |
|---|---|---|---|---|
| Yang_Pokhrel et al_HCHO Sensing Mechanism of In4Sn3O12 Revealed by DRIFTS and DFT_2023_accepted-version.pdf | 1.29 MB | Adobe PDF | View/Open |
| Authors: | Yang, Tingqiang Hemeryck, Anne  Pokhrel, Suman Chen, Wen Mädler, Lutz Weimar, Udo Barsan, Nicolae |
| Abstract: | 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. |
| Keywords: | Adsorption; Atmospheric Chemistry; Oxidation; Oxygen; Sensors |
| Issue Date: | 25-May-2023 |
| Publisher: | American Chemical Society |
| Journal/Edited collection: | The Journal of Physical Chemistry C |
| Issue: | 22 |
| Start page: | 10499 |
| End page: | 10507 |
| Volume: | 127 |
| Type: | Artikel/Aufsatz |
| ISSN: | 1932-7447 |
| Secondary publication: | yes |
| Document version: | Postprint |
| DOI: | 10.26092/elib/3704 |
| URN: | urn:nbn:de:gbv:46-elib88088 |
| Institution: | Universität Bremen |
| Faculty: | Fachbereich 04: Produktionstechnik, Maschinenbau & Verfahrenstechnik (FB 04) Zentrale Wissenschaftliche Einrichtungen und Kooperationen |
| Institute: | Institut für Werkstofftechnik (IWT) MAPEX Center for Materials and Processes |
| Appears in Collections: | Forschungsdokumente |
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