Adsorption, Desorption, and Dissociation of Benzene on TiO2(110) and Pd/TiO2(110)
- 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 Laboratory (ORNL)
- Sponsoring Organization:
- ORNL LDRD Director's R&D
- DOE Contract Number:
- AC05-00OR22725
- OSTI ID:
- 978178
- Journal Information:
- Physical Review B, Journal Name: Physical Review B Journal Issue: 12 Vol. 74; ISSN 1098-0121
- Country of Publication:
- United States
- Language:
- English
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