2024-03-29T02:28:40Zhttps://eprints.lib.hokudai.ac.jp/dspace-oai/requestoai:eprints.lib.hokudai.ac.jp:2115/471052022-11-17T02:08:08Zhdl_2115_20059hdl_2115_151Dynamical LEED analysis of Ni2P (0001)-1 x 1 : Evidence for P-covered surface structureHernandez, Alvin B.Ariga, HirokoTakakusagi, SatoruKinoshita, KumikoSuzuki, ShushiOtani, ShigekiOyama, S. TedAsakura, Kiyotaka431Nickel 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.Elsevier B.V.Journal Articleapplication/pdfhttp://hdl.handle.net/2115/47105https://eprints.lib.hokudai.ac.jp/dspace/bitstream/2115/47105/1/CPL513-1-3_48-52.pdf0009-2614Chemical Physics Letters5131-348522011-09-06enginfo:doi/10.1016/j.cplett.2011.07.055author