{"title":"半经典原子间B-B对势的构建表征全硼纳米材料","authors":"L. Chkhartishvili","doi":"10.24294/can.v6i1.1852","DOIUrl":null,"url":null,"abstract":"The semiclassical boron–boron interatomic pair potential is constructed in an integral form allowing its converting into the analytical one. It is an ab initio B–B potential free of any semiempirical adjusting parameters, which would serve as an effective tool for the theoretical characterization of all-boron and boron-rich nanomaterials.","PeriodicalId":331072,"journal":{"name":"Characterization and Application of Nanomaterials","volume":"21 1","pages":"0"},"PeriodicalIF":0.0000,"publicationDate":"2023-07-12","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":"0","resultStr":"{\"title\":\"Construction of semiclassical interatomic B–B pair potential to characterize all-boron nanomaterials\",\"authors\":\"L. Chkhartishvili\",\"doi\":\"10.24294/can.v6i1.1852\",\"DOIUrl\":null,\"url\":null,\"abstract\":\"The semiclassical boron–boron interatomic pair potential is constructed in an integral form allowing its converting into the analytical one. It is an ab initio B–B potential free of any semiempirical adjusting parameters, which would serve as an effective tool for the theoretical characterization of all-boron and boron-rich nanomaterials.\",\"PeriodicalId\":331072,\"journal\":{\"name\":\"Characterization and Application of Nanomaterials\",\"volume\":\"21 1\",\"pages\":\"0\"},\"PeriodicalIF\":0.0000,\"publicationDate\":\"2023-07-12\",\"publicationTypes\":\"Journal Article\",\"fieldsOfStudy\":null,\"isOpenAccess\":false,\"openAccessPdf\":\"\",\"citationCount\":\"0\",\"resultStr\":null,\"platform\":\"Semanticscholar\",\"paperid\":null,\"PeriodicalName\":\"Characterization and Application of Nanomaterials\",\"FirstCategoryId\":\"1085\",\"ListUrlMain\":\"https://doi.org/10.24294/can.v6i1.1852\",\"RegionNum\":0,\"RegionCategory\":null,\"ArticlePicture\":[],\"TitleCN\":null,\"AbstractTextCN\":null,\"PMCID\":null,\"EPubDate\":\"\",\"PubModel\":\"\",\"JCR\":\"\",\"JCRName\":\"\",\"Score\":null,\"Total\":0}","platform":"Semanticscholar","paperid":null,"PeriodicalName":"Characterization and Application of Nanomaterials","FirstCategoryId":"1085","ListUrlMain":"https://doi.org/10.24294/can.v6i1.1852","RegionNum":0,"RegionCategory":null,"ArticlePicture":[],"TitleCN":null,"AbstractTextCN":null,"PMCID":null,"EPubDate":"","PubModel":"","JCR":"","JCRName":"","Score":null,"Total":0}
Construction of semiclassical interatomic B–B pair potential to characterize all-boron nanomaterials
The semiclassical boron–boron interatomic pair potential is constructed in an integral form allowing its converting into the analytical one. It is an ab initio B–B potential free of any semiempirical adjusting parameters, which would serve as an effective tool for the theoretical characterization of all-boron and boron-rich nanomaterials.
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