| DFT Study of Dimethylaluminum Azide Clusters： Structures,Energies, Frequencies and Thermodynamic Properties |
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| 作者姓名： | 夏其英 肖鹤鸣 居学海 贡雪东 |
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| 作者单位： | Department of Chemistry,Nanjing University of Science and Technology,Nanjing,Jiangsu 210094,China,Department of Chemistry,Nanjing University of Science and Technology,Nanjing,Jiangsu 210094,China,Department of Chemistry,Nanjing University of Science and Technology,Nanjing,Jiangsu 210094,China,Department of Chemistry,Nanjing University of Science and Technology,Nanjing,Jiangsu 210094,China |
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| 基金项目： | Project supported by the National Natural Science Foundation of China (No. 20173028). |
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| 摘 要： | Introduction The organoaluminum azide compounds have been widely used in many fields. These compounds are used as the azidating agents,1-3 and the energetic materials which are always used in national defence industry and in space technology, especially to generate thin films of AlN in various chemical vapor deposition (CVD) sys-tems.4-6 Aluminum nitride has useful properties for coatings, especially for optical or optoelectronic devices, acoustic wave devices and electronic microcircuits.7 …
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| 关 键 词： | 二甲基铝叠氮化物 结构 能量 频率 热学性质 量子化学 |
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