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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 | |
| Source Publication | PROCEEDINGS OF THE NATIONAL ACADEMY OF SCIENCES OF THE UNITED STATES OF AMERICA
 |
| ISSN | 0027-8424 |
| Volume | 115Issue:17Pages:E3888-E3894 |
| Subtype | 期刊论文 |
| Abstract | 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. |
| Keyword | Single-crystal Surfaces Anatase Tio2 Fermi Resonance In-situ Photocatalytic Dissociation Generation Spectroscopy Aqueous-methanol Rutile Tio2 Adsorption Water |
| DOI | 10.1073/pnas.1802741115 |
| Indexed By | SCI |
| Language | 英语 |
| WOS ID | WOS:000430697500007 |
| Citation statistics | |
| Document Type | 期刊论文 |
| Identifier | http://ir.sinap.ac.cn/handle/331007/29018 |
| Collection | 中科院上海应用物理研究所2011-2018年 |
| Affiliation | 1.Yang, DH 2.Li, YD 3.Liu, XY 4.Cao, Y 5.Gao, Y 6.Shen, YR 7.Liu, WT |
| Recommended Citation 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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| Facet-specific inter（1135KB） | 期刊论文 | 作者接受稿 | 开放获取 | CC BY-NC-SA | View Download | |
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