{"title":"掺钒 B 5 N 3 和 B 7 N 5 单层作为氮还原反应的单原子催化剂--第一原理研究","authors":"Nandhini Panjulingam, Senthilkumar Lakshmipathi","doi":"10.1080/00268976.2023.2299232","DOIUrl":null,"url":null,"abstract":"","PeriodicalId":18817,"journal":{"name":"Molecular Physics","volume":"204 2","pages":""},"PeriodicalIF":1.6000,"publicationDate":"2023-12-28","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":"0","resultStr":"{\"title\":\"Vanadium doped B 5 N 3 and B 7 N 5 monolayer as single atom catalyst for nitrogen reduction reaction – a first-principles study\",\"authors\":\"Nandhini Panjulingam, Senthilkumar Lakshmipathi\",\"doi\":\"10.1080/00268976.2023.2299232\",\"DOIUrl\":null,\"url\":null,\"abstract\":\"\",\"PeriodicalId\":18817,\"journal\":{\"name\":\"Molecular Physics\",\"volume\":\"204 2\",\"pages\":\"\"},\"PeriodicalIF\":1.6000,\"publicationDate\":\"2023-12-28\",\"publicationTypes\":\"Journal Article\",\"fieldsOfStudy\":null,\"isOpenAccess\":false,\"openAccessPdf\":\"\",\"citationCount\":\"0\",\"resultStr\":null,\"platform\":\"Semanticscholar\",\"paperid\":null,\"PeriodicalName\":\"Molecular Physics\",\"FirstCategoryId\":\"92\",\"ListUrlMain\":\"https://doi.org/10.1080/00268976.2023.2299232\",\"RegionNum\":4,\"RegionCategory\":\"化学\",\"ArticlePicture\":[],\"TitleCN\":null,\"AbstractTextCN\":null,\"PMCID\":null,\"EPubDate\":\"\",\"PubModel\":\"\",\"JCR\":\"Q4\",\"JCRName\":\"CHEMISTRY, PHYSICAL\",\"Score\":null,\"Total\":0}","platform":"Semanticscholar","paperid":null,"PeriodicalName":"Molecular Physics","FirstCategoryId":"92","ListUrlMain":"https://doi.org/10.1080/00268976.2023.2299232","RegionNum":4,"RegionCategory":"化学","ArticlePicture":[],"TitleCN":null,"AbstractTextCN":null,"PMCID":null,"EPubDate":"","PubModel":"","JCR":"Q4","JCRName":"CHEMISTRY, PHYSICAL","Score":null,"Total":0}
期刊介绍:
Molecular Physics is a well-established international journal publishing original high quality papers in chemical physics and physical chemistry. The journal covers all experimental and theoretical aspects of molecular science, from electronic structure, molecular dynamics, spectroscopy and reaction kinetics to condensed matter, surface science, and statistical mechanics of simple and complex fluids. Contributions include full papers, preliminary communications, research notes and invited topical review articles.