Interfacial Hydrogen-Bonding Dynamics in Surface-Facilitated Dehydrogenation of Water on TiO2(110)

• DOI: 10.1021/jacs.9b09132
• Publication Date: 2019-12-17T06:56:25Z
• Authors: Shijing Tan; Hao Feng; Qijing Zheng; Xuefeng Cui; Jin Zhao; Yi Luo; Jinlong Yang; Bing Wang; J. G. Hou
• Keywords: Hydrogen atom; Stoichiometry

Molecular-level understanding of the dehydrogenation interfacial water molecules on metal oxides and their interactive nature relies ability to track motion light small hydrogen atoms, which is known be difficult. Here, we report precise measurements surface-facilitated process at terminal Ti sites TiO2(110) using scanning tunneling microscopy. Our measured hydrogen-bond dynamics H2O D2O reveal that vibrational electronic excitations dominate sequential transfer two H (D) atoms from a (D2O) molecule adjacent surface oxygen sites, manifesting active participation oxide in processes. results show that, stoichiometric Ti5c individual are energetically less stable than dissociative form, where barrier expected as approximately 70-120 meV basis our experimental theoretical results. Moreover, bonds can effectively assist atom exchange across surface. The revealed quantitative provide new atomistic mechanism for interactions general.