Sulfur doping enhanced desorption of intermediates on NiCoP for efficient alkaline hydrogen evolution.,Nanoscale

当前位置： X-MOL 学术 › Nanoscale › 论文详情

Our official English website, www.x-mol.net, welcomes your feedback! (Note: you will need to create a separate account there.)

Sulfur doping enhanced desorption of intermediates on NiCoP for efficient alkaline hydrogen evolution.
Nanoscale ( IF 5.8 ) Pub Date : 2020-01-08 , DOI: 10.1039/c9nr08583a
Yuyang Qi ₁ , Long Zhang , Lan Sun , Guanjun Chen , Qiaomei Luo , Hongqiang Xin , Jiahui Peng , Yan Li , Fei Ma

Affiliation

Electrocatalysts with high catalytic activity, high stability and low cost are critical to the hydrogen evolution reaction (HER). In this paper, sulfur(S)-doped NiCoP nanowire arrays on a carbon fiber paper skeleton (S-NiCoP NW/CFP) are prepared, and it is demonstrated that the electrocatalytic properties of NiCoP in alkaline solution could be well improved by sulfur doping. In 1.0 M KOH, only an overpotential of 172 mV (vs. RHE) at 100 mA cm-2 is required for S doped NiCoP nanowires on CFP, and the turnover frequency (TOF) is 1.71 times that of NiCoP at an overpotential of 100 mV, indicating its superior intrinsic activity. Density functional theory (DFT) calculations show that S doping could lower the center of the d-band, and thus weaken the interaction between NiCoP and the intermediates. This leads to an optimized hydrogen adsorption Gibbs free energy (ΔGH*) and faster desorption of OH*. This study offers a promising way to design and optimize electrocatalysts for the HER in alkaline solution.

中文翻译：

硫掺杂增强了中间体在NiCoP上的解吸，从而有效地释放了碱性氢。

具有高催化活性，高稳定性和低成本的电催化剂对于放氢反应（HER）至关重要。本文在碳纤维纸骨架上制备了硫（S）掺杂的NiCoP纳米线阵列（S-NiCoP NW / CFP），证明了通过硫掺杂可以很好地改善NiCoP在碱性溶液中的电催化性能。。在1.0 M KOH中，C FP上掺S的NiCoP纳米线仅需要100 mA cm-2的172 mV（vs. RHE）的超电势，周转频率（TOF）是NiCoP在100超电势时的1.71倍。 mV，表明其优异的内在活性。密度泛函理论（DFT）计算表明，掺杂S可以降低d波段的中心，从而削弱NiCoP与中间体之间的相互作用。这导致优化的氢吸附吉布斯自由能（ΔGH*）和OH *的更快解吸。这项研究提供了一种有前途的方法，可以设计和优化HER在碱性溶液中的电催化剂。

更新日期：2020-01-08

点击分享查看原文

点击收藏

阅读更多本刊最新论文本刊介绍/投稿指南11