title: Elucidation of the surface structure-selectivity relationship in ethanol electro-oxidation over platinum by density functional theory.
abstract: We have successfully built a general framework to comprehend the structure-selectivity relationship in ethanol electrooxidation on platinum by density functional theory calculations. Based on the reaction mechanisms on three basal planes and five stepped surfaces, it was found that only (110) and n(111) × (110) sites can enhance CO2 selectivity but other non-selective step sites are more beneficial to activity.
authors.affiliation: Collaborative Innovation Centre of Chemistry for Energy Materials, State Key Laboratory of Physical Chemistry of Solid Surfaces, Xiamen University, Xiamen, 361005, China. tsheng@xmu.edu.cn sgsun@xmu.edu.cn.
authors.forename: Tian
authors.initials: T
authors.lastname: Sheng
authors.forename: Wen-Feng
authors.initials: WF
authors.lastname: Lin
authors.forename: Shi-Gang
authors.initials: SG
authors.lastname: Sun