{"title":"Electronic Properties of Pristine and Boron-doped Triangular Graphene","authors":"Wang Liqin, Wang Liguang","doi":"10.1109/ICIC.2010.161","DOIUrl":null,"url":null,"abstract":"The electronic properties of pristine and B doped triangular graphene sheets have been investigated by using density functional theory calculations. After doping B atom, most of C-C bonds increase and also increase HOMO-LUMO energy gap. The effects of doping on the Milliken charges and molecular distribution have been studied as well.","PeriodicalId":176212,"journal":{"name":"2010 Third International Conference on Information and Computing","volume":"3 1","pages":"0"},"PeriodicalIF":0.0000,"publicationDate":"2010-06-04","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":"0","resultStr":null,"platform":"Semanticscholar","paperid":null,"PeriodicalName":"2010 Third International Conference on Information and Computing","FirstCategoryId":"1085","ListUrlMain":"https://doi.org/10.1109/ICIC.2010.161","RegionNum":0,"RegionCategory":null,"ArticlePicture":[],"TitleCN":null,"AbstractTextCN":null,"PMCID":null,"EPubDate":"","PubModel":"","JCR":"","JCRName":"","Score":null,"Total":0}
引用次数: 0
Abstract
The electronic properties of pristine and B doped triangular graphene sheets have been investigated by using density functional theory calculations. After doping B atom, most of C-C bonds increase and also increase HOMO-LUMO energy gap. The effects of doping on the Milliken charges and molecular distribution have been studied as well.
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