烷烃和硼烷簇储氢的热力学分析

2016 IEEE International Conference on Renewable Energy Research and Applications (ICRERA) Pub Date : 2016-11-01 DOI:10.1109/ICRERA.2016.7884501

Richard Kyung, Jasmin An, Seo Young Kyung, R. Hur, Joshua R. Kim, Hyun Jee Lim

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引用次数: 1

摘要

在本文中，热力学稳定性充足的候选储氢材料，如聚合氢化硼和聚合氢化铝，使用阿伏伽德罗进行了比较。我们发现硼烷团簇的优化能量往往高于烷烃团簇。此外，我们发现(AlH3)n异构体的优化能量似乎与另一项研究的结果相矛盾。

本文章由计算机程序翻译，如有差异，请以英文原文为准。

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Thermodynamic analysis of alane and borane clusters for hydrogen storage

In this paper, thermodynamic stability of adequate candidates to hydrogen storage materials, such as polymeric boron hydride and polymeric aluminum hydride, are compared with the use of Avogadro. We found the borane clusters tend to have higher optimized energy than the alane clusters. In addition, we identified (AlH3)n isomers whose optimized energy seem to contradict the results of a different study.

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2016 IEEE International Conference on Renewable Energy Research and Applications (ICRERA)

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