NDLI: Imaging of Formaldehyde Adsorption and Diffusion on TiO$

Content Provider	Springer Nature Link
Author	Zhang, Zhenrong Tang, Miru Wang, Zhi Tao Ke, Zhu Xia, Yaobiao Park, Kenneth T. Lyubinetsky, Igor Dohnálek, Zdenek Ge, Qingfeng
Copyright Year	2014
Abstract	Surface reactions of formaldehyde with reduced TiO$_{2}$(110) surfaces have been studied using variable-temperature scanning tunneling microscopy (STM) and density functional theory (DFT). STM images taken from a same area at various temperatures clearly show that formaldehyde preferentially adsorbs on the bridge-bonded oxygen (O$_{b}$) vacancy (V$_{O}$) defect sites. Bias-dependent STM images show that the STM features corresponding to both the Ti-bound CH$_{2}$O and the V$_{O}$-bound CH$_{2}$O are positioned between the O$_{b}$ row and the Ti row. While the V$_{O}$-bound formaldehyde rotates at 95 K, the Ti-bound CH$_{2}$O does not. The V$_{O}$-bound CH$_{2}$O starts to diffuse along the O$_{b}$ row as –CH$_{2}$– at ~170 K and starts to diffuse along the Ti row as an intact molecule at ~215 K. However, the stabilities and the configurations of the Ti-bound and V$_{O}$-bound formaldehyde calculated using DFT are not in line with the experimental results. The discrepancy between the experiment and theory indicates the presence of a complex charge distribution related to the surface defects.
Starting Page	103
Ending Page	113
Page Count	11
File Format	PDF
ISSN	10225528
Journal	Topics in Catalysis
Volume Number	58
Issue Number	2-3
e-ISSN	15729028
Language	English
Publisher	Springer US
Publisher Date	2014-12-19
Publisher Place	Boston
Access Restriction	One Nation One Subscription (ONOS)
Subject Keyword	Titanium dioxide Formaldehyde Defects Diffusion Scanning tunneling microscope Density function theory Catalysis Physical Chemistry Pharmacy Industrial Chemistry/Chemical Engineering Characterization and Evaluation of Materials
Content Type	Text
Resource Type	Article
Subject	Chemistry Catalysis

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