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Exploration of the Photocatalytic Cycle for Sacrificial Hydrogen Evolution by Conjugated Polymers Containing Heteroatoms 含杂原子共轭聚合物牺牲析氢光催化循环的探索
Sustainable Energy & Fuels Pub Date : 2021-12-14 DOI: 10.26434/chemrxiv-2021-7dfbv
Andrew W. Prentice, M. Zwijnenburg
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引用次数: 1
The potential scarcity, or not, of polymeric overall water splitting photocatalysts 潜在的稀缺性，或不，聚合整体水分解光催化剂
Sustainable Energy & Fuels Pub Date : 2021-10-21 DOI: 10.33774/chemrxiv-2021-s5fkj
Benedict Saunders, L. Wilbraham, Andrew W. Prentice, Reiner Sebastian Sprick, M. Zwijnenburg
{"title":"The potential scarcity, or not, of polymeric overall water splitting photocatalysts","authors":"Benedict Saunders, L. Wilbraham, Andrew W. Prentice, Reiner Sebastian Sprick, M. Zwijnenburg","doi":"10.33774/chemrxiv-2021-s5fkj","DOIUrl":"https://doi.org/10.33774/chemrxiv-2021-s5fkj","url":null,"abstract":"We perform a high-throughput computational screening of a set of 3240 conjugated alternating binary co-polymers and homo-polymers, in which we predict their ability to drive sacrificial hydrogen evolution and overall water splitting when illuminated with visible light. We use the outcome of this screening to analyse how common the ability to drive either reaction is for conjugated polymers loaded with suitable co-catalysts, and to suggest promising (co-)monomers for polymeric overall water splitting catalysts.","PeriodicalId":156655,"journal":{"name":"Sustainable Energy & Fuels","volume":"31 1","pages":"0"},"PeriodicalIF":0.0,"publicationDate":"2021-10-21","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"133230607","PeriodicalName":null,"FirstCategoryId":null,"ListUrlMain":null,"RegionNum":0,"RegionCategory":"","ArticlePicture":[],"TitleCN":null,"AbstractTextCN":null,"PMCID":"","EPubDate":null,"PubModel":null,"JCR":null,"JCRName":null,"Score":null,"Total":0}
引用次数: 2
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