caa a22 4500 60617401X CHVBK 20210128100736.0 cr unu---uuuuu 210128e20150301xx s 000 0 eng 10.1007/s11244-014-0349-6 doi (NATIONALLICENCE)springer-10.1007/s11244-014-0349-6 Imaging of Formaldehyde Adsorption and Diffusion on TiO2(110) [Elektronische Daten] [Zhenrong Zhang, Miru Tang, Zhi-Tao Wang, Zhu Ke, Yaobiao Xia, Kenneth Park, Igor Lyubinetsky, Zdenek Dohnálek, Qingfeng Ge] Surface reactions of formaldehyde with reduced TiO2(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 (Ob) vacancy (VO) defect sites. Bias-dependent STM images show that the STM features corresponding to both the Ti-bound CH2O and the VO-bound CH2O are positioned between the Ob row and the Ti row. While the VO-bound formaldehyde rotates at 95K, the Ti-bound CH2O does not. The VO-bound CH2O starts to diffuse along the Ob row as -CH2- at ~170K and starts to diffuse along the Ti row as an intact molecule at ~215K. However, the stabilities and the configurations of the Ti-bound and VO-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. Springer Science+Business Media New York, 2014 Titanium dioxide nationallicence Formaldehyde nationallicence Defects nationallicence Diffusion nationallicence Scanning tunneling microscope nationallicence Density function theory nationallicence Zhang Zhenrong Department of Physics, Baylor University, 76798, Waco, TX, USA aut Tang Miru Department of Chemistry and Biochemistry, Southern Illinois University, 62901, Carbondale, IL, USA aut Wang Zhi-Tao Environmental Molecular Sciences Laboratory, Institute for Interfacial Catalysis, and Pacific Northwest National Laboratory, 99352, Richland, WA, USA aut Ke Zhu Department of Physics, Baylor University, 76798, Waco, TX, USA aut Xia Yaobiao Department of Physics, Baylor University, 76798, Waco, TX, USA aut Park Kenneth Department of Physics, Baylor University, 76798, Waco, TX, USA aut Lyubinetsky Igor Environmental Molecular Sciences Laboratory, Institute for Interfacial Catalysis, and Pacific Northwest National Laboratory, 99352, Richland, WA, USA aut Dohnálek Zdenek Environmental Molecular Sciences Laboratory, Institute for Interfacial Catalysis, and Pacific Northwest National Laboratory, 99352, Richland, WA, USA aut Ge Qingfeng Department of Chemistry and Biochemistry, Southern Illinois University, 62901, Carbondale, IL, USA aut Topics in Catalysis Springer US; http://www.springer-ny.com 58/2-3(2015-03-01), 103-113 1022-5528 58:2-3<103 2015 58 11244 https://doi.org/10.1007/s11244-014-0349-6 text/html Onlinezugriff via DOI BK010053 XK010053 XK010000 Metadata rights reserved Springer special CC-BY-NC licence nationallicence 1 research-article jats NATIONALLICENCE NATIONALLICENCE NL-springer NATIONALLICENCE 856 40 https://doi.org/10.1007/s11244-014-0349-6 text/html Onlinezugriff via DOI NATIONALLICENCE 700 1- Zhang Zhenrong Department of Physics, Baylor University, 76798, Waco, TX, USA aut NATIONALLICENCE 700 1- Tang Miru Department of Chemistry and Biochemistry, Southern Illinois University, 62901, Carbondale, IL, USA aut NATIONALLICENCE 700 1- Wang Zhi-Tao Environmental Molecular Sciences Laboratory, Institute for Interfacial Catalysis, and Pacific Northwest National Laboratory, 99352, Richland, WA, USA aut NATIONALLICENCE 700 1- Ke Zhu Department of Physics, Baylor University, 76798, Waco, TX, USA aut NATIONALLICENCE 700 1- Xia Yaobiao Department of Physics, Baylor University, 76798, Waco, TX, USA aut NATIONALLICENCE 700 1- Park Kenneth Department of Physics, Baylor University, 76798, Waco, TX, USA aut NATIONALLICENCE 700 1- Lyubinetsky Igor Environmental Molecular Sciences Laboratory, Institute for Interfacial Catalysis, and Pacific Northwest National Laboratory, 99352, Richland, WA, USA aut NATIONALLICENCE 700 1- Dohnálek Zdenek Environmental Molecular Sciences Laboratory, Institute for Interfacial Catalysis, and Pacific Northwest National Laboratory, 99352, Richland, WA, USA aut NATIONALLICENCE 700 1- Ge Qingfeng Department of Chemistry and Biochemistry, Southern Illinois University, 62901, Carbondale, IL, USA aut NATIONALLICENCE 773 0- Topics in Catalysis Springer US; http://www.springer-ny.com 58/2-3(2015-03-01), 103-113 1022-5528 58:2-3<103 2015 58 11244