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Role of Reduced Defects for Coupling Reactions of Acetaldehyde on Anatase TiO2(001)-(1×4) Surface
Yuan-yuan Ji,Yi Zheng,Xiao-chuan Ma,Xue-feng Cui,Bing Wang*
Author NameAffiliationE-mail
Yuan-yuan Ji Hefei National Laboratory for Physical Sciences at the Microscale, University of Science and Technology of China, Hefei 230026, China  
Yi Zheng Hefei National Laboratory for Physical Sciences at the Microscale, University of Science and Technology of China, Hefei 230026, China  
Xiao-chuan Ma Hefei National Laboratory for Physical Sciences at the Microscale, University of Science and Technology of China, Hefei 230026, China  
Xue-feng Cui Hefei National Laboratory for Physical Sciences at the Microscale, University of Science and Technology of China, Hefei 230026, China xfcui@ustc.edu.cn 
Bing Wang* Hefei National Laboratory for Physical Sciences at the Microscale, University of Science and Technology of China, Hefei 230026, China bwang@ustc.edu.cn 
Abstract:
The chemistry of acetaldehyde (CH3CHO) adsorbed on the anatase TiO2(001)-(1×4) surface has been investigated by temperature-programmed desorption (TPD) method. Our experimental results provide the direct evidence that the perfect lattice sites on the anatase TiO2(001)-(1×4) surface are quite inert for the reaction of CH3CHO, but the reduced defect sites on the surface are active for the thermally driven reductive carbon-carbon coupling reactions of CH3CHO to produce 2-butanone and butene. We propose that the coupling reactions of CH3CHO on the anatase TiO2(001)-(1×4) surface should undergo through the adsorption of paired CH3CHO molecules at the reduced defect sites, since the existing reduced Ti pairs provide the suitable adsorption sites.
Key words:  Acetaldehyde, Coupling reaction, Reduced defect, Anatase TiO2(001), Temperature-programmed desorption
FundProject:
锐钛矿型TiO2(001)-(1×4)表面还原型缺陷对乙醛偶联反应的作用
纪沅沅,郑 怡,马晓川,崔雪峰*,王 兵*
摘要:
本文利用程序升温脱附技术(TPD)研究了乙醛吸附在锐钛矿型TiO2(001)-(1×4)表面的化学性质. 实验结果表明完整晶格位点对乙醛反应表现极为惰性,而表面上的还原型缺陷位点在热驱动下可有效地使乙醛分子通过碳-碳偶联反应生成2-丁酮和丁烯. 提出了乙醛在锐钛矿型TiO2(001)-(1×4)表面偶联反应主要是通过表面还原型缺陷位吸附成对的乙醛分子,因为表面已有的钛原子对还原型缺陷为乙醛分子提供了合适的吸附位点.
关键词:  乙醛,偶联反应,还原型缺陷,锐钛矿型二氧化钛(001),程序升温脱附
DOI:10.1063/1674-0068/cjcp1901017
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