| 金属Mo的价键结构随温度和压力的变化 |
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| 引用本文： | 彭红建,武青,周姣连,李小波,谢佑卿.金属Mo的价键结构随温度和压力的变化[J].中南大学学报(自然科学版),2011(10). |
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| 作者姓名： | 彭红建 武青 周姣连 李小波 谢佑卿 |
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| 作者单位： | 中南大学化学化工学院;中南大学材料科学与工程学院; |
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| 基金项目： | 国家自然科学基金资助项目(50954006); 湖南省科技厅资助项目(2009GK3152); 湖南省教育厅资助项目(21KZ); 湖南省建设厅资助项目(201012); 中南大学大型仪器共享基金资助项目(ZKJ2010024) |
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| 摘 要： | 根据能形法确定金属Mo的价键结构,并研究金属Mo的价键结构随温度和压力的变化。研究结果表明:室温时,金属Mo的外层价电子数为e c4.910 4(dc2.700 4+sc0.560 0+p1c.650 0)e1f.089 6,单键半径为0.128 08 nm;随着温度升高,金属Mo的共价电子减少,近自由电子增加,但在固相范围内变化不大;随着温度升高,键长增长,键价降低,键能也降低;零压时金属Mo的外层价电子数为e c4.903 2(dc2.703 2+sc0.560 0+p1c.640 0)e1f.096 8,单键半径为0.128 04 nm;随着压力的升高,金属Mo的共价电子增加,近自由电子减少,晶体的共价性增加,金属性减弱,且键长缩短,键价增大,键能降低。
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| 关 键 词： | 金属Mo 价键结构 温度 压力 |
Temperature and pressure dependent for valence bond structure molybdenum |
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| PENG Hong-jian,WU Qing,ZHOU Jiao-lian,LI Xiao-bo,XIE You-qing.Temperature and pressure dependent for valence bond structure molybdenum[J].Journal of Central South University:Science and Technology,2011(10). |
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| Authors: | PENG Hong-jian WU Qing ZHOU Jiao-lian LI Xiao-bo XIE You-qing |
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| Institution: | PENG Hong-jian1,2,WU Qing1,ZHOU Jiao-lian1,LI Xiao-bo2,XIE You-qing2 (1.School of Chemistry and Chemical Engineering,Central South University,Changsha 410083,China,2.School of Materials Science and Engineering,China) |
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| Abstract: | The valence bond structure of molybdenum was determined based on energy and shape method.The valence bond structure of Mo is changed as functions of temperature and pressure.The outer shell valence electronic distribution of Mo metal at constant temperature is.The single-bond radius is 0.128 08 nm.Covalent electron decreases and near free electron increases with the increase of temperature,but the valence bond structure of Mo does not change drastically in solid state.The bond length and single-bond radius ... |
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| Keywords: | Mo metal valence bond structure temperature pressure |
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