Regulating the electronic structure of catalysts via stable ceria and adjustable copper metal/oxide towards efficient overall water splitting

IF 10.7 2区 材料科学 Q1 CHEMISTRY, PHYSICAL Journal of Materials Chemistry A Pub Date : 2024-11-13 DOI:10.1039/d4ta06305h
Huan Zheng, Tao Yin, Jialong Yu, Wei Xu, Weizhen Zhang, Qihui Yu, Yingnan Guo, Li Guan, Xiaolei Huang, Fenghe Wang
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Abstract

Designing efficient, economical bifunctional electrocatalysts for overall water splitting is important and challenging. This paper demonstrates a cobalt-based electrocatalyst modified with stable ceria (CeO2) and adjustable copper metal/oxide (Cu/CuO) to regulate electrochemical reconfigurations during the hydrogen evolution reaction (HER) and oxygen evolution reaction (OER). Theoretical calculations reveal that CeO2 substantially impacts the electronic configuration and D-band center of catalysts. Surprisingly, CeO2 moves the D-band center of cobalt oxyhydroxide closer to the Fermi level but shifts the D-band center of cobalt hydroxide away from the Fermi level. Therefore, CeO2 optimizes the adsorption energy of the intermediates and boosts the OER activity, while reducing the ability of absorbed hydrogen atoms to bond with the catalyst and enhancing the electron-donor performance of the catalyst in the HER. Furthermore, the presence of Cu/CuO dramatically improves the catalytic activity. Hence, the utilization of CeO2 and CuO/Cu in cobalt-based nanosheet arrays enhances catalytic efficiency in overall water splitting. The overpotentials are only 94 mV and 246 mV (@10 mA cm−2) for the HER and OER, respectively, superior to those of pure cobalt-based catalysts. This study presents an innovative approach to developing efficient overall water splitting catalysts and offers insights into future developments in this field.

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通过稳定的铈和可调节的金属/氧化铜调节催化剂的电子结构,实现高效的整体水分离
为整体水分离设计高效、经济的双功能电催化剂既重要又具有挑战性。本文展示了一种用稳定铈(CeO2)和可调金属铜/氧化物(Cu/CuO)修饰的钴基电催化剂,以调节氢进化反应(HER)和氧进化反应(OER)过程中的电化学重构。理论计算显示,CeO2 对催化剂的电子构型和 D 波段中心有重大影响。令人惊讶的是,CeO2 使氢氧化钴的 D 波段中心更接近费米级,但却使氢氧化钴的 D 波段中心远离费米级。因此,CeO2 优化了中间产物的吸附能,提高了 OER 活性,同时降低了吸收的氢原子与催化剂结合的能力,增强了催化剂在 HER 中的电子负载性能。此外,Cu/CuO 的存在还能显著提高催化活性。因此,在钴基纳米片阵列中利用 CeO2 和 CuO/Cu 可以提高整体水分离的催化效率。HER 和 OER 的过电位分别仅为 94 mV 和 246 mV(@10 mA cm-2),优于纯钴基催化剂。这项研究提出了一种开发高效整体水分离催化剂的创新方法,并为该领域的未来发展提供了启示。
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来源期刊
Journal of Materials Chemistry A
Journal of Materials Chemistry A CHEMISTRY, PHYSICAL-ENERGY & FUELS
CiteScore
19.50
自引率
5.00%
发文量
1892
审稿时长
1.5 months
期刊介绍: The Journal of Materials Chemistry A, B & C covers a wide range of high-quality studies in the field of materials chemistry, with each section focusing on specific applications of the materials studied. Journal of Materials Chemistry A emphasizes applications in energy and sustainability, including topics such as artificial photosynthesis, batteries, and fuel cells. Journal of Materials Chemistry B focuses on applications in biology and medicine, while Journal of Materials Chemistry C covers applications in optical, magnetic, and electronic devices. Example topic areas within the scope of Journal of Materials Chemistry A include catalysis, green/sustainable materials, sensors, and water treatment, among others.
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