{"title":"氧化锌纳米线稳定性与结构关系的从头算研究。","authors":"S. Singh, S. Kaushik, R. Thakur","doi":"10.54051/shodh.2021.1.4.3","DOIUrl":null,"url":null,"abstract":"The performed study has explored structural dependence of stability for different proposed shapes for Zinc Oxide nanowires by using pseudopotentials DFT calculations. 2-atom linear, 2-atom zigzag, 4-atom square and 6-atom hexagonal nanowire are the four different shapes under consideration and the study has been performed by using ABINIT code. Our findings indicate that 2 atom zigzag shaped nanowire has shown greatest stability","PeriodicalId":432768,"journal":{"name":"Shodh Sankalp Journal","volume":"1 1","pages":"0"},"PeriodicalIF":0.0000,"publicationDate":"2021-12-22","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":"0","resultStr":"{\"title\":\"An ab -Initio Study of Stability Dependence on Structure of Zinc oxide Nanowires .\",\"authors\":\"S. Singh, S. Kaushik, R. Thakur\",\"doi\":\"10.54051/shodh.2021.1.4.3\",\"DOIUrl\":null,\"url\":null,\"abstract\":\"The performed study has explored structural dependence of stability for different proposed shapes for Zinc Oxide nanowires by using pseudopotentials DFT calculations. 2-atom linear, 2-atom zigzag, 4-atom square and 6-atom hexagonal nanowire are the four different shapes under consideration and the study has been performed by using ABINIT code. Our findings indicate that 2 atom zigzag shaped nanowire has shown greatest stability\",\"PeriodicalId\":432768,\"journal\":{\"name\":\"Shodh Sankalp Journal\",\"volume\":\"1 1\",\"pages\":\"0\"},\"PeriodicalIF\":0.0000,\"publicationDate\":\"2021-12-22\",\"publicationTypes\":\"Journal Article\",\"fieldsOfStudy\":null,\"isOpenAccess\":false,\"openAccessPdf\":\"\",\"citationCount\":\"0\",\"resultStr\":null,\"platform\":\"Semanticscholar\",\"paperid\":null,\"PeriodicalName\":\"Shodh Sankalp Journal\",\"FirstCategoryId\":\"1085\",\"ListUrlMain\":\"https://doi.org/10.54051/shodh.2021.1.4.3\",\"RegionNum\":0,\"RegionCategory\":null,\"ArticlePicture\":[],\"TitleCN\":null,\"AbstractTextCN\":null,\"PMCID\":null,\"EPubDate\":\"\",\"PubModel\":\"\",\"JCR\":\"\",\"JCRName\":\"\",\"Score\":null,\"Total\":0}","platform":"Semanticscholar","paperid":null,"PeriodicalName":"Shodh Sankalp Journal","FirstCategoryId":"1085","ListUrlMain":"https://doi.org/10.54051/shodh.2021.1.4.3","RegionNum":0,"RegionCategory":null,"ArticlePicture":[],"TitleCN":null,"AbstractTextCN":null,"PMCID":null,"EPubDate":"","PubModel":"","JCR":"","JCRName":"","Score":null,"Total":0}
An ab -Initio Study of Stability Dependence on Structure of Zinc oxide Nanowires .
The performed study has explored structural dependence of stability for different proposed shapes for Zinc Oxide nanowires by using pseudopotentials DFT calculations. 2-atom linear, 2-atom zigzag, 4-atom square and 6-atom hexagonal nanowire are the four different shapes under consideration and the study has been performed by using ABINIT code. Our findings indicate that 2 atom zigzag shaped nanowire has shown greatest stability
求助内容：
应助结果提醒方式：
京公网安备 11010802042870号
