烧结
材料科学
氧化还原
密度泛函理论
空位缺陷
化学工程
焓
反应性(心理学)
储能
铜
热力学
冶金
结晶学
计算化学
化学
功率(物理)
病理
替代医学
工程类
物理
医学
作者
Jiali Deng,Changdong Gu,Haoran Xu,Gang Xiao
标识
DOI:10.1021/acsami.2c09519
摘要
Metal oxides as high-temperature thermochemical energy storage systems with high energy density based on the gas–solid reaction are a critical demand for the future development of concentrated solar power plants. A copper-based system has high enthalpy change and low cost, but its serious sintering leads to poor reactivity. In this study, MgCr2O4 is decorated on the CuO/Cu2O surface to effectively increase the sintering temperature and alleviate the sintering problem. The re-oxidation degree is increased from 46 to 99.9%, and the reaction time is shortened by 3.7 times. The thermochemical energy density of storage and release reach −818.23 and 812.90 kJ/kg, respectively. After 600 cycles, the oxidation activity remains 98.77%. Material characterization elucidates that nanosized MgCr2O4 is uniformly loaded on the surface of CuO/Cu2O during the reversible reaction, and there is a strong interaction between metal oxides and prompter. Density functional theory (DFT) calculation further confirms that CuO/Cu2O–MgCr2O4 has large binding energy and the formation energy of copper vacancy increases, which can effectively inhibit sintering. The modification mechanism of CuO/Cu2O by MgCr2O4 is revealed, which can provide guidance for the reasonable design of thermochemical energy storage materials with sintering resistance and redox activity.
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