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高性能-氧化物电催化剂适用于性水电解中的 HER 和 OER

Seunghyun Jo¹, Byeol Kang¹, SiEon An²

¹School of Materials Science and Engineering, Gwangju Institute of Science and Technology (GIST), 123 Cheomdangwagi-ro, Buk-gu, Gwangju 61005, Republic of Korea.

ACS applied materials & interfaces

|February 12, 2025

概括

木兴奋剂增强了氧化电催化剂用于水电解. 这提高了进化反应 (HER) 和氧进化反应 (OER) 在性介质中的动力学,提高了效率.

科学领域:

材料科学材料科学材料科学
电化学电化学电化学
催化剂是一种催化剂.

背景情况:

氧化 (NiO) 是一种具有成本效益的水电解电催化剂,但其化演化反应 (HER) 和氧化演化反应 (OER) 动力学不佳.
的局限性源于HER中强烈的质子相互作用和OER中不利的OH*状态能量,阻碍了速度决定步骤 (RDS) 动力学.

研究的目的:

通过使用比斯 (Bi) 进行兴奋剂来增强 NiO 对 HER 和 OER 的电催化活性.
调查Bi doping如何改变NiO的电子结构及其对反应机制的影响.

主要方法:

密度函数理论 (DFT) 计算分析电子结构和反应自由能量.
使用木修饰的NiO催化剂 (Bi0.5:NiO,Bi0.2:NiO) 对半/单细胞的电化学评估.

主要成果:

石兴奋剂诱导NiO中Ni位点的正电荷,减少过度的阴离子相互作用并增强催化活性.
DFT计算证实Bi添加剂优化了HER的质子吸附自由能量,并减少了OER的RDS自由能量差异.
含有Bi的催化剂 (Bi0.5:NiO和Bi0.2:NiO) 显示出显著的性能改善:性HER的97.0%,OER的21.9%.

结论:

石兴奋剂是一种有效的策略,用于调整NiO的电子特性,以改善性HER和OER电催化.
增强的催化活性归因于优化电子结构和反应能量,这是由Bi的纳入促进的.
这项工作为高效的水电解应用提供了有前途的比斯改性NiO电催化剂.

关键词:

毕斯穆特 (bismuth) 是一种天然气.电催化剂是一种电催化剂.气演化反应反应的反应热水系统是热水系统.氧化物氧化氧化氧气进化反应反应氧气进化反应水的电解是水的电解.

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