Facet-specific interaction between methanol and TiO2 probed by sum-frequency vibrational spectroscopy

doi:10.1073/pnas.1802741115

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	Facet-specific interaction between methanol and TiO2 probed by sum-frequency vibrational spectroscopy
	Yang, DH ; Li, YD ; Liu, XY ; Cao, Y ; Gao, Y ; Shen, YR ; Liu, WT
	2018
发表期刊	PROCEEDINGS OF THE NATIONAL ACADEMY OF SCIENCES OF THE UNITED STATES OF AMERICA
ISSN	0027-8424
卷号	115 期号:17 页码:E3888-E3894
文章类型	期刊论文
摘要	The facet-specific interaction between molecules and crystalline catalysts, such as titanium dioxides (TiO2), has attracted much attention due to possible facet-dependent reactivity. Using surface-sensitive sum-frequency vibrational spectroscopy, we have studied how methanol interacts with different common facets of crystalline TiO2, including rutile(110), (001), (100), and anatase(101), under ambient temperature and pressure. We found that methanol adsorbs predominantly in the molecular form on all of the four surfaces, while spontaneous dissociation into methoxy occurs preferentially when these surfaces become defective. Extraction of Fermi resonance coupling between stretch and bending modes of the methyl group in analyzing adsorbed methanol spectra allows determination of the methanol adsorption isotherm. The isotherms obtained for the four surfaces are nearly the same, yielding two adsorbed Gibbs free energies associated with two different adsorption configurations singled out by ab initio calculations. They are (i) similar to-20 kJ/mol for methanol with its oxygen attached to a low-coordinated surface titanium, and (ii) similar to-5 kJ/mol for methanol hydrogen-bonded to a surface oxygen and a neighboring methanol molecule. Despite similar adsorption energetics, the Fermi resonance coupling strength for adsorbed methanol appears to depend sensitively on the surface facet and coverage.
关键词	Single-crystal Surfaces Anatase Tio2 Fermi Resonance In-situ Photocatalytic Dissociation Generation Spectroscopy Aqueous-methanol Rutile Tio2 Adsorption Water
DOI	10.1073/pnas.1802741115
收录类别	SCI
语种	英语
WOS记录号	WOS:000430697500007
引用统计	被引频次：1[WOS] [WOS记录] [WOS相关记录]
文献类型	期刊论文
条目标识符	http://ir.sinap.ac.cn/handle/331007/29018
专题	中科院上海应用物理研究所2011-2018年
作者单位	1.Yang, DH 2.Li, YD 3.Liu, XY 4.Cao, Y 5.Gao, Y 6.Shen, YR 7.Liu, WT
推荐引用方式 GB/T 7714	Yang, DH,Li, YD,Liu, XY,et al. Facet-specific interaction between methanol and TiO2 probed by sum-frequency vibrational spectroscopy[J]. PROCEEDINGS OF THE NATIONAL ACADEMY OF SCIENCES OF THE UNITED STATES OF AMERICA,2018,115(17):E3888-E3894.
APA	Yang, DH.,Li, YD.,Liu, XY.,Cao, Y.,Gao, Y.,...&Liu, WT.(2018).Facet-specific interaction between methanol and TiO2 probed by sum-frequency vibrational spectroscopy.PROCEEDINGS OF THE NATIONAL ACADEMY OF SCIENCES OF THE UNITED STATES OF AMERICA,115(17),E3888-E3894.
MLA	Yang, DH,et al."Facet-specific interaction between methanol and TiO2 probed by sum-frequency vibrational spectroscopy".PROCEEDINGS OF THE NATIONAL ACADEMY OF SCIENCES OF THE UNITED STATES OF AMERICA 115.17(2018):E3888-E3894.

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