The 3d–5d orbital repulsion of transition metals in oxyhydroxide catalysts facilitates water oxidation
The 3d–5d orbital repulsion of transition metals in oxyhydroxide catalysts facilitates water oxidation
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DOI：
10.1039/c9ta03542g
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发表时间：
2019-06
影响因子：
11.9
通讯作者：
Lie Wang;Yunzhou Wen;Yujin Ji;Hanjie Cao;Shangyu Li;Sisi He;Haipeng Bai;Gejun Liu;Longsheng Zhang
中科院分区：
文献类型：
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作者：
Lie Wang;Yunzhou Wen;Yujin Ji;Hanjie Cao;Shangyu Li;Sisi He;Haipeng Bai;Gejun Liu;Longsheng Zhang
我们开发了一种强大的策略，通过使用3d-5d轨道排斥来调整电子结构，结合DFT计算和实验验证，实现了高效的NiFeIr水氧化电催化剂。
We have developed a powerful strategy to achieve a high-efficiency NiFeIr electrocatalyst for water oxidation by using 3d–5d orbital repulsion to tune the electronic structures, combining the DFT calculations and experimental verifications.