Design of Ca/Co-based Composites for Thermochemical Energy Storage Based on First Principle
Given the urgent need to enhance the cyclic stability and optical absorption of CaCO3/CaO thermochemical energy storage(TCES)systems for solar utilization,this paper proposes an ad-vanced TCES material composed of calcium carbonates and cobalt oxides.The optical proper-ties of Ca/Co composites are theoretically calculated using first principles,and the modification mechanism for improving optical absorption is revealed from the perspective of electronic struc-ture,which can facilitate the active design of TCES materials.In experiments,the key factor contributing to the improved optical properties of the best-performing materials prepared by the sol-gel method is the formation of a Ca3Co2-xMnxO6(x=0/0.5/1)multiphase solid solution.With materials'optical absorbance increasing from 9.53％to 79.3％,and the conversion rate in the 30th cycle increasing from 20％to 53.4％,the proposed TCSE materials exhibit promising application prospects.
thermochemical energy storagedensity function theoryoptical absorptioncyclic stabilityelectronic structure
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维普
