Adsorption, Desorption, and Dissociation of Benzene on TiO₂(110) and Pd/TiO₂(110)

Journal Article · Sun Jan 01 00:00:00 EST 2006 · Physical Review B

DOI:https://doi.org/10.1103/PhysRevB.74.125318· OSTI ID:978178

Zhou, Jing ^[1]; Dag, Sefa ^[1]; Senanayake, Sanjaya D ^[1]; Hathorn, Bryan C ^[1]; Kalinin, Sergei V ^[1]; Meunier, Vincent ^[1]; Mullins, David R ^[1]; Baddorf, Arthur P ^[1]

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1. ORNL

Adsorption and reaction of benzene molecules on clean TiO{sub 2}(110) and on TiO{sub 2}(110) with deposited Pd nanoparticles are investigated using a combination of scanning tunneling microscopy (STM), temperature-programmed desorption, and first-principles calculations. Above {approx}50 K, the one-dimensional motion of benzene between bridging oxygen rows is shown to be too fast for STM imaging. At 40 K benzene molecules form chains on top of titanium rows, with calculations indicating every other benzene is rotated 30{sup o}. Both experimental and theoretical studies find no dissociative reactivity of benzene on the clean TiO{sub 2}(110) surface, due to little hybridization between TiO{sub 2} and benzene electronic states. After deposition of Pd nanoparticles, molecular benzene is observed with STM both on the substrate and adjacent to metallic particles. Upon heating to 800 K, benzene fully breaks down into its atomic constituents in a multistep decomposition process.

• Research Organization: Oak Ridge National Lab. (ORNL), Oak Ridge, TN (United States)
• Sponsoring Organization: USDOE Laboratory Directed Research and Development (LDRD) Program
• DOE Contract Number: DE-AC05-00OR22725
• OSTI ID: 978178
• Journal Information: Physical Review B, Vol. 74, Issue 12; ISSN 1098-0121
• Country of Publication: United States
• Language: English

Related Subjects

75 CONDENSED MATTER PHYSICS
SUPERCONDUCTIVITY AND SUPERFLUIDITY
ADSORPTION
BENZENE
CHAINS
DEPOSITION
DESORPTION
DISSOCIATION
HEATING
HYBRIDIZATION
OXYGEN
SCANNING TUNNELING MICROSCOPY
SUBSTRATES
TITANIUM