| Density functional theory study of the interaction of H2 with pure and Ti-doped WO3 （002） surfaces |
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| 引用本文： | 胡明,王巍丹,曾鹏,曾晶,秦玉香.Density functional theory study of the interaction of H2 with pure and Ti-doped WO3 （002） surfaces[J].中国物理 B,2012(2):9-15. |
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| 作者姓名： | 胡明 王巍丹 曾鹏 曾晶 秦玉香 |
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| 作者单位： | School of Electronics and Information Engineering, Tianjin University, Tianjin 300072, China |
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| 基金项目： | Project supported by the National Natural Science Foundation of China （Grant Nos. 60771019 and 60801018）, the Tianjin Key Research Program of Application Foundation and Advanced Technology, China （Grant No. 11JCZDJC15300）, the Tianjin Natural Science Foundation, China （Grant No. 09JCYBJC01100）, and the New Teacher Foundation of the Ministry of Education, China （Grant No. 200800561109）. |
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| 摘 要： |
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| 关 键 词： | WO3薄膜 密度泛函理论 表面相互作用 表面密度 钛掺杂 H2 吸附模型 传感器灵敏度 |
Density functional theory study of the interaction of H2 with pure and Ti-doped WO3 （002） surfaces |
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| Institution: | Hu Ming , Wang Wei-Dan, Zeng Peng,Zeng Jing, Oin Yu-Xiang School of Electronics and Information Engineering, Tianjin University, Tianjin 300072, China |
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| Abstract: | |
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| Keywords: | H2 adsorption WO3 （002） surface Ti-doped density functional theory |
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