Identifying configuration and orientation of adsorbed molecules by inelastic electron tunneling spectra

Hao Ren; Jinlong Yang; Yi Luo

doi:10.1063/1.3474807

Identifying configuration and orientation of adsorbed molecules by inelastic electron tunneling spectra

J Chem Phys. 2010 Aug 14;133(6):064702. doi: 10.1063/1.3474807.

Authors

Hao Ren¹, Jinlong Yang, Yi Luo

Affiliation

¹ Hefei National Laboratory for Physical Sciences at the Microscale, University of Science and Technology of China, Hefei, Anhui 230026, People's Republic of China.

PMID: 20707581
DOI: 10.1063/1.3474807

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.

Publication types

Research Support, Non-U.S. Gov't

MeSH terms

Adsorption
Alkenes / chemistry*
Computer Simulation*
Microscopy, Scanning Tunneling*
Models, Chemical
Palladium / chemistry

Substances

Alkenes
Palladium
2-butene