Yuhang Deng , Tao Sun , Shi Zhou , Wei Jiang , Chunbo Liu , Chunhong Ma , Guangbo Che
{"title":"Rational design of a donor–acceptor structure in covalent heptazine frameworks to boost photocatalytic nitrogen fixation†","authors":"Yuhang Deng , Tao Sun , Shi Zhou , Wei Jiang , Chunbo Liu , Chunhong Ma , Guangbo Che","doi":"10.1039/d4cc06602b","DOIUrl":null,"url":null,"abstract":"<div><div>Herein, the construction of potential donor–acceptor (D–A) structures was guided using density-functional theory (DFT) calculations. The photocatalytic nitrogen fixation performance of was then experimentally determined to be 327.58 μmol g<sup>−1</sup> h<sup>−1</sup>, which was attributed to its efficient photo-induced charge separation and migration ability.</div></div>","PeriodicalId":67,"journal":{"name":"Chemical Communications","volume":"61 15","pages":"Pages 3135-3138"},"PeriodicalIF":4.3000,"publicationDate":"2025-01-24","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":"0","resultStr":null,"platform":"Semanticscholar","paperid":null,"PeriodicalName":"Chemical Communications","FirstCategoryId":"92","ListUrlMain":"https://www.sciencedirect.com/org/science/article/pii/S1359734525001387","RegionNum":2,"RegionCategory":"化学","ArticlePicture":[],"TitleCN":null,"AbstractTextCN":null,"PMCID":null,"EPubDate":"","PubModel":"","JCR":"Q2","JCRName":"CHEMISTRY, MULTIDISCIPLINARY","Score":null,"Total":0}
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Abstract
Herein, the construction of potential donor–acceptor (D–A) structures was guided using density-functional theory (DFT) calculations. The photocatalytic nitrogen fixation performance of was then experimentally determined to be 327.58 μmol g−1 h−1, which was attributed to its efficient photo-induced charge separation and migration ability.
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