Richard Kyung, Jasmin An, Seo Young Kyung, R. Hur, Joshua R. Kim, Hyun Jee Lim
{"title":"Thermodynamic analysis of alane and borane clusters for hydrogen storage","authors":"Richard Kyung, Jasmin An, Seo Young Kyung, R. Hur, Joshua R. Kim, Hyun Jee Lim","doi":"10.1109/ICRERA.2016.7884501","DOIUrl":null,"url":null,"abstract":"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.","PeriodicalId":287863,"journal":{"name":"2016 IEEE International Conference on Renewable Energy Research and Applications (ICRERA)","volume":"6 1","pages":"0"},"PeriodicalIF":0.0000,"publicationDate":"2016-11-01","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":"1","resultStr":null,"platform":"Semanticscholar","paperid":null,"PeriodicalName":"2016 IEEE International Conference on Renewable Energy Research and Applications (ICRERA)","FirstCategoryId":"1085","ListUrlMain":"https://doi.org/10.1109/ICRERA.2016.7884501","RegionNum":0,"RegionCategory":null,"ArticlePicture":[],"TitleCN":null,"AbstractTextCN":null,"PMCID":null,"EPubDate":"","PubModel":"","JCR":"","JCRName":"","Score":null,"Total":0}
引用次数: 1
Abstract
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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