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用同质铜催化剂电催化氧化水不利于单位机制

Sara J Koepke¹, Kenneth M Light¹, Peter E VanNatta¹

¹Department of Chemistry, University of Utah , Salt Lake City, Utah 84112-0850, United States.

Journal of the American Chemical Society

|June 1, 2017

概括

这项研究详细介绍了一种二核铜催化剂,用于高效氧化水,这对于太阳能燃料生产至关重要. 它揭示了一种避免高能量中间体的新机制,为催化剂设计提供了新的见解.

科学领域:

无机化学
催化剂
可再生能源

背景情况:

太阳能燃料来自水分离,需要高效的氧化催化剂.
地球上丰富的铜催化剂是有希望的,但它们的氧化机制仍有争议.
对于晚期过渡金属,预计将有高能终端氧化物种,这表明铜的替代途径.

研究的目的:

描述一个双核铜水氧化催化剂.
通过这种铜复合物阐明水氧化的机制.
将基于铜的机制与Ru,Ir和Mn催化剂进行比较.

主要方法:

一个双核铜催化剂的合成和表征: {[(L) Cu(II) ]2-(μ-OH) 2} ((OTf) 2 (L = Me2TMPA).
电化学研究以确定催化活性,法拉第效率和动态同位素效应.
计算计算 (DFT) 模型反应路径和中间体.

主要成果:

双核铜催化剂表现出高法拉第效率 (> 90%) 和中等速度 (33 s-1) 的水氧化.
一个大的动态同位素效应 (kH/kD = 20) 表示质子合电子转移作为速度决定的步骤.
计算研究揭示了一个常见的双核中间体{[LCu(III) 2-{μ-O) 2} 2+,避免了高能终端Cu(IV) =O或Cu(III) -O•物种.

结论:

双核铜催化剂可以通过与Ru,Ir和Mn不同的途径运行,避免高能中间体.
O-O 键的形成可以通过分子间的水攻击或二核中间体的氧化还原异构化.
这些发现为设计用于太阳能燃料的先进铜基水氧化催化剂提供了关键的机械见解.

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