| 碳纳米管阵列储氢的物理吸附特性 |
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| 引用本文： | 程锦荣,戴磊,赵敏,丁锐,黄德财.碳纳米管阵列储氢的物理吸附特性[J].安徽大学学报(自然科学版),2004,28(6):32-36. |
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| 作者姓名： | 程锦荣 戴磊 赵敏 丁锐 黄德财 |
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| 作者单位： | 安徽大学,物理与材料科学学院,安徽,合肥,230039;安徽大学,物理与材料科学学院,安徽,合肥,230039;中国科学院,物理研究所,北京,100080 |
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| 摘 要： | 采用巨正则蒙特卡罗方法,在室温、100大气压下对以方阵和三角方式排列的碳纳米管阵列的物理吸附储氢进行计算机模拟,发现氢分子可被吸附于碳纳米管阵列的管内和管外,管外的储氢密度普遍高于管内,方阵阵列优于三角阵列,并给出了相应的理论解释。
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| 关 键 词： | 碳纳米管阵列 储氢 物理吸附 巨正则系综 蒙特卡罗模拟 |
| 文章编号： | 1000-2162(2004)06-0032-05 |
The properties of hydrogen physisorption in carbon nanotube arrays |
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| CHENG Jing-rong,DAI Lei,ZHAO Ming,DING Rui,HUANG De-cai.The properties of hydrogen physisorption in carbon nanotube arrays[J].Journal of Anhui University(Natural Sciences),2004,28(6):32-36. |
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| Authors: | CHENG Jing-rong DAI Lei ZHAO Ming DING Rui HUANG De-cai |
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| Institution: | CHENG Jing-rong~1,DAI Lei~1,ZHAO Ming~1,DING Rui~1,HUANG De-cai~ |
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| Abstract: | The hydrogen physisorption in carbon nanotube arrays is simulated by grand canonical Monte Carlo method at room temperature and 100 Atm. We find that H_2 molecules can be adsorbed inside and outside SWCNTs (Single-walled Carbon Nanotubes), and the number density of H_2 outside SWCNTs is higher than that inside SWCNTs, and a square array is finer than a triangular array for hydrogen physisorption in carbon nanotube arrays. Further, we interpret them theoretically. |
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| Keywords: | carbon nanotube array hydrogen storage physisorption grand canonical ensemble Monte Carlo simulation |
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