Identifying configuration and orientation of adsorbed molecules by inelastic electron tunneling spectra.
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.
Ren
Hao
H
Hefei National Laboratory for Physical Sciences at the Microscale, University of Science and Technology of China, Hefei, Anhui 230026, People's Republic of China.
Yang
Jinlong
J
Luo
Yi
Y
D000327:Adsorption; D000475:Alkenes / Q000737:chemistry*; D003198:Computer Simulation; D016252:Microscopy, Scanning Tunneling; D008956:Models, Chemical; D010165:Palladium / Q000737:chemistry
D000475:Alkenes; D010165:Palladium; C021639:2-butene