Molecular Hydrogen Formation from Proximal Glycol Pairs on TiO2(110)
Understanding hydrogen formation on TiO2 surfaces is of great importance as it could provide fundamental insight into water splitting for hydrogen production using solar energy. In this work, hydrogen formation from glycols having different numbers of methyl end-groups have been studied using temperature pro-grammed desorption on reduced, hydroxylated, and oxidized TiO2(110) surfaces. The results from OD-labeled glycols demon-strate that gas-phase molecular hydrogen originates exclusively from glycol hydroxyl groups. The yield is controlled by a combi-nation of glycol coverage, steric hindrance, TiO2(110) order and the amount of subsurface charge. Combined, these results show that proximal pairs of hydroxyl aligned glycol molecules and subsurface charge are required to maximize the yield of this redox reaction. These findings highlight the importance of geometric and electronic effects in hydrogen formation from adsorbates on TiO2(110).
- Research Organization:
- Pacific Northwest National Lab. (PNNL), Richland, WA (United States). Environmental Molecular Sciences Lab. (EMSL)
- Sponsoring Organization:
- USDOE
- DOE Contract Number:
- AC05-76RL01830
- OSTI ID:
- 1158957
- Report Number(s):
- PNNL-SA-100493; 47406; KC0302010
- Journal Information:
- Journal of the American Chemical Society, 136(15):5559-5562, Journal Name: Journal of the American Chemical Society, 136(15):5559-5562
- Country of Publication:
- United States
- Language:
- English
Similar Records
Conversion of 1,2-Propylene Glycol on Rutile TiO2(110)
Theoretical study of the molecular and electronic structure of methanol on a TiO2(110) surface