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Importance of Entropic Contribution to Electrochemical Water Oxidation Catalysis
ACS Energy Letters ( IF 19.3 ) Pub Date : 2019-07-08 00:00:00 , DOI: 10.1021/acsenergylett.9b00541
Kang-Gyu Lee 1 , Mani Balamurugan 1 , Sunghak Park 1 , Heonjin Ha 1 , Kyoungsuk Jin 1 , Hongmin Seo 1 , Ki Tae Nam 1
Affiliation  

Electrochemical water oxidation is considered as one of the most important reactions for a sustainable future. However, in heterogeneous water oxidation, atomistic understanding of this four-electron reaction is still elusive. In particular, the mechanism of O–O bond formation, the coupled transfer of proton and electron, and the hopping of high-valent metal-oxo intermediates are challenging issues. To date, binding energy related descriptors have been used successfully to predict the catalytic activities by matching the experimental data and quantitatively comparing the performances. In this Perspective, we attempt to emphasize the significance of entropic contribution, like enthalpy, by highlighting recent literature and calculating the entropy from the available data. We envision that this Perspective can suggest a new research direction toward the catalyst design to control the entropy during water oxidation and be technologically useful for characterizing the temperature effects.

中文翻译:

熵在电化学水氧化催化中的重要性

电化学水氧化被认为是可持续未来最重要的反应之一。但是,在非均质水氧化中,对这种四电子反应的原子性理解仍然难以捉摸。特别是,O-O键形成的机理,质子和电子的耦合转移以及高价金属-氧代中间体的跳跃是具有挑战性的问题。迄今为止,通过匹配实验数据并定量比较性能,结合能相关的描述符已成功用于预测催化活性。在本《观点》中,我们试图通过强调最新文献并从可用数据中计算熵来强调熵(如焓)的重要性。
更新日期:2019-07-08
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