Water Adsorption at the Tetrahedral Titania Surface Layer of SrTiO3(110)-(4 脳 1)

详细信息    查看全文

• 作者：Zhiming Wang ; Xianfeng Hao ; Stefan Gerhold ; Zbynek Novotny ; Cesare Franchini ; Eamon McDermott ; Karina Schulte ; Michael Schmid ; Ulrike Diebold
• 刊名：Journal of Physical Chemistry C
• 出版年：2013
• 出版时间：December 12, 2013
• 年：2013
• 卷：117
• 期：49
• 页码：26060-26069
• 全文大小：513K
• 年卷期：v.117,no.49(December 12, 2013)
• ISSN：1932-7455

文摘

The interaction of water with oxide surfaces is of great interest for both fundamental science and applications. We present a combined theoretical (density functional theory (DFT)) and experimental (scanning tunneling microscopy (STM) and photoemission spectroscopy (PES)) study of water interaction with the two-dimensional titania overlayer that terminates the SrTiO₃(110)-(4 脳 1) surface and consists of TiO₄ tetrahedra. STM and core-level and valence band PES show that H₂O neither adsorbs nor dissociates on the stoichiometric surface at room temperature, whereas it does dissociate at oxygen vacancies. This is in agreement with DFT calculations, which show that the energy barriers for water dissociation on the stoichiometric and reduced surfaces are 1.7 and 0.9 eV, respectively. We propose that water weakly adsorbs on two-dimensional, tetrahedrally coordinated overlayers.