二维 CoNi LDH 和 Ti3C2 纳米片的可调谐异质组装可增强氧进化的电催化活性

IF 5.8 3区 材料科学 Q1 CHEMISTRY, MULTIDISCIPLINARY Nanoscale Pub Date : 2024-11-21 DOI:10.1039/d4nr03679d
Xueyi Lu, Lulu Jia, Minchen Hou, Xuemin Wu, Chang Ni, Gaofei Xiao, Renzhi Ma, Xia Lu
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引用次数: 0

摘要

氧进化反应(OER)的缓慢动力学是基于水电解开发氢能的瓶颈,而使用高性能催化剂可以显著改善这一问题。在此背景下,利用带正电荷的 LDH 和带负电荷的 Ti3C2 纳米片的静电吸引作用,获得了 CoNi 层状双氢氧化物(LDH)/Ti3C2 异质结构作为催化剂,以优化 OER 性能。这种交替堆叠表现出良好的催化活性,具有较低的过电位和较小的塔菲尔斜率,其性能优于它们的单独组分。密度泛函理论(DFT)模拟结果发现,从 Ti3C2 到 CoNi LDH 的电荷转移不仅调整了电子分布,还增加了界面活性位点的电子密度,从而提高了异质结构内部的电子传递效率。此外,Co2+ 和 Ni3+ 离子还能发挥协同作用,提供更多的电子来吸附邻近中间体的活性氢和氧空位,从而提高吸附能力并降低反应能垒。这些发现为设计用于 OER 的高效电催化剂提供了一条有益的途径。
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Tunable Heteroassembly of 2D CoNi LDH and Ti3C2 Nanosheets with Enhanced Electrocatalytic Activity for Oxygen Evolution
The sluggish kinetics of oxygen evolution reaction (OER) are bottlenecks to develop hydrogen energy based on water electrolysis, which can be significantly improved using high performance catalyst. In this context, the CoNi layered double hydroxide (LDH)/Ti3C2 heterostructures are obtained using electrostatic attraction of the positively charged LDH and negatively charged Ti3C2 nanosheets as catalyst to optimize the OER performance. Such alternately stacking exhibits good catalytic activity with a lower overpotential and a small Tafel slope, outperforming their individual components. The results by density functional theory (DFT) simulation find that the charge transfers from Ti3C2 to CoNi LDH, not only adjust the electron distribution, but also increase the electron density of the interfacial active sites, thus enhances the electron transfer efficiency inside the heterostructures. Moreover, the Co2+ and Ni3+ ions exhibit a synergistic effect in supplying more electrons to adsorb the adjacent intermediates with the active hydrogen and oxygen vacancies, to improve the adsorption capability and reduce the reaction energy barriers. These findings provide a rewarding avenue towards the design of highly efficient electrocatalysts for OER.
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来源期刊
Nanoscale
Nanoscale CHEMISTRY, MULTIDISCIPLINARY-NANOSCIENCE & NANOTECHNOLOGY
CiteScore
12.10
自引率
3.00%
发文量
1628
审稿时长
1.6 months
期刊介绍: Nanoscale is a high-impact international journal, publishing high-quality research across nanoscience and nanotechnology. Nanoscale publishes a full mix of research articles on experimental and theoretical work, including reviews, communications, and full papers.Highly interdisciplinary, this journal appeals to scientists, researchers and professionals interested in nanoscience and nanotechnology, quantum materials and quantum technology, including the areas of physics, chemistry, biology, medicine, materials, energy/environment, information technology, detection science, healthcare and drug discovery, and electronics.
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