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超薄纳米板中的异质旋转状态诱导微妙的格子扭曲以触发高效的进化

Youwen Liu¹, Xuemin Hua¹, Chong Xiao¹

¹Hefei National Laboratory for Physical Sciences at the Microscale, Collaborative Innovation Center of Chemistry for Energy Materials, University of Science & Technology of China , Hefei, Anhui 230026, P. R. China.

Journal of the American Chemical Society

|March 29, 2016

概括

开发高效的非贵金属电催化剂是可持续能源的关键. 这项研究引入了Mn-doped CoSe2纳米片,通过协同活性位点和动态调节证明了优异的演变反应 (HER) 性能.

科学领域:

材料科学
电化学
催化剂

背景情况:

有效的非贵金属电催化剂对于可持续的能源转化至关重要,特别是对于进化反应 (HER).
第一排过渡金属二原体具有很大的潜力,但需要对活性部位和动态进行进一步研究.
为了提高催化剂性能,开发协同活性位点和动态调节的策略至关重要.

研究的目的:

开发一种新的策略,用于在第一排过渡金属二基化物中创建协同活性位点和动态调节.
研究金属Mn-doped pyrite CoSe2作为演化反应的有效电催化剂的潜力.
探索Mn结合对CoSe2原子结构和催化活性的影响.

主要方法:

合成金属Mn-doped pyrite CoSe2超薄纳米板.
高分辨率传输电子显微镜 (HRTEM) 用于结构特征.
密度功能理论 (DFT) 模拟以了解Mn结合和HER活动的机制.

主要成果:

HRTEM证实了Mn-doped CoSe2中的微妙原子排列扭曲和额外的活跃边缘位置.
DFT模拟显示Mn的结合降低了H-H键形成的动能障碍,促进了H2的演变.
用Mn合的CoSe2纳米板表现出很好的HER性能,包括低超电位 (174 mV),小的Tafel斜率 (36 mV/dec) 和高交换电流密度 (68.3 μA cm(-2)).

结论:

这项研究提出了一种通过过渡金属二基因的异质旋转状态来协调调节的新概念.
化CoSe2作为一个高效的,自适应的电催化剂,用于演变反应.
这种方法为进化和其他能源应用设计先进的催化剂提供了新的维度.

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