Interaction of Formaldehyde with the Rutile TiO2(110) Surface: A Combined Experimental and Theoretical Study
| Autor: | Miru Tang, Yuemin Wang, Zdenek Dohnálek, Long Chen, Stefan Heissler, Christof Wöll, Zhenrong Zhang, Alexei Nefedov, Fabian Bebensee, Bruce D. Kay, Qingfeng Ge, Chengwu Yang, Xiaojuan Yu |
|---|---|
| Rok vydání: | 2016 |
| Předmět: |
Polyoxymethylene
Formaldehyde 02 engineering and technology 010402 general chemistry 021001 nanoscience & nanotechnology 01 natural sciences 0104 chemical sciences Surfaces Coatings and Films Electronic Optical and Magnetic Materials law.invention chemistry.chemical_compound General Energy Adsorption chemistry Rutile law Desorption Physical chemistry Organic chemistry Density functional theory Physical and Theoretical Chemistry Scanning tunneling microscope 0210 nano-technology Paraformaldehyde |
| Zdroj: | The Journal of Physical Chemistry C. 120:12626-12636 |
| ISSN: | 1932-7455 1932-7447 |
| Popis: | The adsorption and reaction of formaldehyde (CH2O) on the oxidized rutile TiO2(110) surface were studied by temperature-programmed desorption (TPD), scanning tunneling microscopy (STM), infrared reflection–absorption spectroscopy (IRRAS), and density functional theory (DFT) calculations. The experimental and theoretical data reveal the presence of various species depending on the temperature and coverage. Exposure to formaldehyde at 65 K leads to the formation of CH2O multilayers, which desorb completely upon heating to 120 K. After smaller exposures at low temperatures (45–65 K), STM allowed us to identify individual, isolated CH2O monomers. The theoretical results indicate that these monomers are bound to the surface Ti5c sites via σ-donation and adopt a tilted geometry. Upon heating, the CH2O monomers polymerize to form paraformaldehyde (polyoxymethylene, POM) chains, oriented primarily along the Ti5c rows ([001] direction). Upon further heating, POM is found to decompose around 250 K, releasing CH2O i... |
| Databáze: | OpenAIRE |
| Externí odkaz: |
|