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

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引用次数: 2

摘要

我们对一组3240共轭交替二元共聚物和均相聚合物进行了高通量计算筛选，其中我们预测了它们在可见光照射下驱动牺牲氢析出和整体水分解的能力。我们利用这一筛选的结果来分析负载合适的助催化剂的共轭聚合物驱动这两种反应的能力有多普遍，并建议有希望的(共)单体用于聚合物整体水分解催化剂。

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The potential scarcity, or not, of polymeric overall water splitting photocatalysts

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.

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来源期刊

Sustainable Energy & Fuels

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