DICP OpenIR
学科主题物理化学
Stepwise Photocatalytic Dissociation of CD3OH on TiO2(110)
Guo Q(郭庆); Xu CB(徐晨彪); Ren ZF(任泽峰); Yang WS(杨文绍); Ma ZB(马志博); Dai DX(戴东旭); TimMinton; Fan HJ(樊红军); Yang XM(杨学明)
会议文集Conference on Molecular Energy Transfer (COMET 2011)
会议名称International Conference on Molecular Energy Transfer
会议日期2011-09-11
2011
会议地点牛津
其他题名甲醇在TiO2(110)表面的光催化逐步解离研究
页码70-0
出版者待补充
出版地待补充
合作性质墙报
部门归属1102
主办者Jesus College, Oxford
英文摘要Stepwise Photocatalytic Dissociation of CD3OH on TiO2(110) Qing Guo1), Chenbiao Xu1), +), Zefeng Ren1),*), Wenshao Yang1), Zhibo Ma1), Dongxu Dai1), Tim Minton2), #), Hongjun Fan1), *), Xueming Yang1), *) State Key Laboratory of Molecular Reaction Dynamics, Dalian Institute of Chemical Physics, 457 Zhongshan Road, Dalian 116023, Liaoning, P. R. China +) Also with School of Physics and Optoelectric Engineering, Dalian University of Technology, Dalian, Liaoning 116023, CHINA #) CAS Visiting Senior Scientist from Department of Chemistry, Montana State University, Bozeman, MT 59717, USA Abstract TiO2 is one of the most important metal oxide due to its participation in enormous technological processes.[1-3] Photodegradation of organic molecules and water splitting have received enormous attention, which have tremendous potential applications in both environmental cleanup and clear energy. It has been reported that adding methanol into water could dramatically enhance the photocatalytic activity of TiO2 for water splitting to produce hydrogen.[5] Therefore it could give key insights into the photocatalytic dynamics on TiO2 by learning the methanol photocatalytic chemistry on TiO2 at the atomic and molecular level. Photocatalytic dissociation of CD3OH on TiO2(110) has been studied by the photocatalysis-TPD apparatus developed in our laboratory recently. Nascent products, such as formaldehyde on the Ti5c sites and H- and D-atoms on bridge-bonded oxygen (BBO) sites, have been detected through TPD measurements after different laser irradiation time. Experimental results show that the transfer of hydroxyl H-atom and methyl D-atom in CD3OH to the BBO sites is a stepwise process in which the H-atom transfer proceeds first and then followed by the methyl D-atom. Theoretical calculations indicate that the first step hydroxyl hydrogen dissociation has a small energetic barrier while the second step of D-atom dissociation from CD3O-Ti5c has a much larger barrier, in good agreement with the experimental results. [1] A. Fujishima and K. Honda, Nature, 1972, 238, 37. [2] H. Idriss, M.A. Barteau, Adv. Catal. 45 (2000) 261. [3] B. O’Regan, M. Gr€atzel, Nature 353 (1991) 737. [4] Tracy L.Thompson and John T. Yates, Jr, Chemical Reviews, 2006, Vol. 106, No. 10 [5]T. Kawai, T. Sakata, J. C. S. Chem. Comm. 24, 694 (1980).; Stepwise Photocatalytic Dissociation of CD3OH on TiO2(110) Qing Guo1), Chenbiao Xu1), +), Zefeng Ren1),*), Wenshao Yang1), Zhibo Ma1), Dongxu Dai1), Tim Minton2), #), Hongjun Fan1), *), Xueming Yang1), *) State Key Laboratory of Molecular Reaction Dynamics, Dalian Institute of Chemical Physics, 457 Zhongshan Road, Dalian 116023, Liaoning, P. R. China +) Also with School of Physics and Optoelectric Engineering, Dalian University of Technology, Dalian, Liaoning 116023, CHINA #) CAS Visiting Senior Scientist from Department of Chemistry, Montana State University, Bozeman, MT 59717, USA Abstract TiO2 is one of the most important metal oxide due to its participation in enormous technological processes.[1-3] Photodegradation of organic molecules and water splitting have received enormous attention, which have tremendous potential applications in both environmental cleanup and clear energy. It has been reported that adding methanol into water could dramatically enhance the photocatalytic activity of TiO2 for water splitting to produce hydrogen.[5] Therefore it could give key insights into the photocatalytic dynamics on TiO2 by learning the methanol photocatalytic chemistry on TiO2 at the atomic and molecular level. Photocatalytic dissociation of CD3OH on TiO2(110) has been studied by the photocatalysis-TPD apparatus developed in our laboratory recently. Nascent products, such as formaldehyde on the Ti5c sites and H- and D-atoms on bridge-bonded oxygen (BBO) sites, have been detected through TPD measurements after different laser irradiation time. Experimental results show that the transfer of hydroxyl H-atom and methyl D-atom in CD3OH to the BBO sites is a stepwise process in which the H-atom transfer proceeds first and then followed by the methyl D-atom. Theoretical calculations indicate that the first step hydroxyl hydrogen dissociation has a small energetic barrier while the second step of D-atom dissociation from CD3O-Ti5c has a much larger barrier, in good agreement with the experimental results. [1] A. Fujishima and K. Honda, Nature, 1972, 238, 37. [2] H. Idriss, M.A. Barteau, Adv. Catal. 45 (2000) 261. [3] B. O’Regan, M. Gr€atzel, Nature 353 (1991) 737. [4] Tracy L.Thompson and John T. Yates, Jr, Chemical Reviews, 2006, Vol. 106, No. 10 [5]T. Kawai, T. Sakata, J. C. S. Chem. Comm. 24, 694 (1980).
文献类型会议论文
条目标识符http://cas-ir.dicp.ac.cn/handle/321008/115966
专题中国科学院大连化学物理研究所
通讯作者Fan HJ(樊红军); Yang XM(杨学明)
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Guo Q,Xu CB,Ren ZF,et al. Stepwise Photocatalytic Dissociation of CD3OH on TiO2(110)[C]. 待补充:待补充,2011:70-0.
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