title: Identifying configuration and orientation of adsorbed molecules by inelastic electron tunneling spectra.
abstract: Scanning tunneling microscopy (STM) topographical images and inelastic electron tunneling spectra (IETS) of a cis-2-butene molecule adsorbed on a Pd(110) surface have been simulated by first-principles calculations. Calculations have eliminated the ambiguity between the STM image and the adsorption orientation caused by the symmetry of the system and local chemical environment. A combination of STM images and IETS spectra has been shown to be particularly useful in determining the configuration of the molecule on the surface.
authors: Hefei National Laboratory for Physical Sciences at the Microscale, University of Science and Technology of China, Hefei, Anhui 230026, People's Republic of China.
authors: Hao
authors: H
authors: Ren
authors: Jinlong
authors: J
authors: Yang
authors: Yi
authors: Y
authors: Luo
mesh_terms: D000327:Adsorption; D000475:Alkenes / Q000737:chemistry*; D003198:Computer Simulation; D016252:Microscopy, Scanning Tunneling; D008956:Models, Chemical; D010165:Palladium / Q000737:chemistry
chemical_list: D000475:Alkenes; D010165:Palladium; C021639:2-butene