Dynamical LEED analysis of Ni2P (0001)-1 x 1: Evidence for P-covered surface structure

作者：Hernandez Alvin B; Ariga Hiroko; Takakusagi Satoru; Kinoshita Kumiko; Suzuki Shushi; Otani Shigeki; Oyama S Ted; Asakura Kiyotaka^*

来源：Chemical Physics Letters, 2011, 513(1-3): 48-52.

DOI：10.1016/j.cplett.2011.07.055

Nickel phosphide (Ni2P) is an emerging catalyst for hydrodesulfurization and other important environment- and energy-related catalytic reactions. To understand its high performance, the surface structure of a Ni2P (0 0 0 1) single crystal surface was investigated using dynamical LEED analysis. The obtained surface structure for Ni2P (0 0 0 1)-1 x 1 is a P-covered Ni3P2 structure (Ni3P_P structure) as opposed to the expected bulk terminated surface structures. This Letter discusses the driving force for the formation of the Ni3P_P surface, which involves the minimization of dangling bonds.

• 出版日期2011-9-6
• 单位美国弗吉尼亚理工大学(Virginia Tech)