Single atom tungsten doped ultrathin α-Ni(OH)2 for enhanced electrocatalytic water oxidation.,Nature Communications

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Single atom tungsten doped ultrathin α-Ni(OH)2 for enhanced electrocatalytic water oxidation.
Nature Communications ( IF 14.7 ) Pub Date : 2019-05-14 , DOI: 10.1038/s41467-019-09845-z
Junqing Yan ₁ , Lingqiao Kong ₁ , Yujin Ji ₂ , Jai White ₃ , Youyong Li ₂ , Jing Zhang ₄ , Pengfei An ₄ , Shengzhong Liu _{1,

5} , Shuit-Tong Lee ₂ , Tianyi Ma ₃

Affiliation

Electrocatalytic water oxidation is a rate-determining step in the water splitting reaction. Here, we report one single atom W6+ doped Ni(OH)2 nanosheet sample (w-Ni(OH)2) with an outstanding oxygen evolution reaction (OER) performance that is, in a 1 M KOH medium, an overpotential of 237 mV is obtained reaching a current density of 10 mA/cm2. Moreover, at high current density of 80 mA/cm2, the overpotential value is 267 mV. The corresponding Tafel slope is measured to be 33 mV/dec. The d0 W6+ atom with a low spin-state has more outermost vacant orbitals, resulting in more water and OH- groups being adsorbed on the exposed W sites of the Ni(OH)2 nanosheet. Density functional theory (DFT) calculations confirm that the O radical and O-O coupling are both generated at the same site of W6+. This work demonstrates that W6+ doping can promote the electrocatalytic water oxidation activity of Ni(OH)2 with the highest performance.

中文翻译：

单原子钨掺杂的超薄α-Ni（OH）2，用于增强电催化水氧化。

电催化水氧化是水分解反应中决定速率的步骤。在这里，我们报告了一个单原子W6 +掺杂的Ni（OH）2纳米片样品（w-Ni（OH）2），具有出色的析氧反应（OER）性能，即在1 M KOH介质中的过电势为237 mV获得的电流密度达到10 mA / cm2。此外，在80 mA / cm2的高电流密度下，过电势值为267 mV。相应的塔菲尔斜率测量为33 mV / dec。具有低自旋态的d0 W6 +原子具有更多的最外层空轨道，从而导致更多的水和OH-吸附在Ni（OH）2纳米片的暴露W位置上。密度泛函理论（DFT）的计算证实了O自由基和OO耦合都在W6 +的同一位置生成。

更新日期：2019-05-16

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