Scholarlink

<p>Thermochemical energy storage (TCES) offers a pathway to store surplus electricity or heat as combined chemical plus thermal energy with high density, long-duration capability, and the ability to transport stored energy as stable solids. This study investigates an understudied material family for TCES by determining the temperature- and composition-dependent redox thermodynamics of CaFe<sub>x</sub>Mn<sub>1−x</sub>O<sub>3−δ</sub> (CFM, 0 ≤ x ≤ 1) using the CrossFit Compound Energy Formalism (CF-CEF) algorithm. CF-CEF combines ab initio density functional theory (DFT) calculations with thermogravimetric (TGA) data to extract reduction and re-oxidation thermodynamics. We compare TCES capacities of CFM with those of CaAl<sub>0.2</sub>Mn<sub>0.8</sub>O<sub>3−δ</sub> (CAM28), a benchmark material. The Fe-lean composition (x = 0.0625) achieves a thermochemical storage capacity of 53 kJ·mol⁻<sup>1</sup> O at a re-oxidation temperature of 760&#xa0;°C and a reduction temperature of 1250&#xa0;°C (ΔT = 490 °C), excluding sensible heat, exceeding CAM28 by about 20%, and reaching a max of 60&#xa0;kJ/mol at ΔT = 850 °C. These findings identify Fe-lean CFM as a promising candidate for next-generation thermochemical energy storage.</p>

错误：搜索内容不能为空，请输入英文关键词
错误：关键词超出字数限制，请精简
高级检索

Extraction of CaFexMn1-xO3-δ perovskite reduction/re-oxidation thermodynamics via the CrossFit CEF algorithm: a thermochemical energy storage application

  • 期刊论文

  • 出版模式：

    开放获取

  • 发表日期：

    2026年3月17日

查看全文
  • Steven A. Wilson,
  • Zoe Liberman-Martin,
  • Matthew A. Park,
  • Alicia Bayon,
  • Andrea Ambrosini,
  • Ellen B. Stechel,
  • Christopher L. Muhich

摘要

Thermochemical energy storage (TCES) offers a pathway to store surplus electricity or heat as combined chemical plus thermal energy with high density, long-duration capability, and the ability to transport stored energy as stable solids. This study investigates an understudied material family for TCES by determining the temperature- and composition-dependent redox thermodynamics of CaFexMn1−xO3−δ (CFM, 0 ≤ x ≤ 1) using the CrossFit Compound Energy Formalism (CF-CEF) algorithm. CF-CEF combines ab initio density functional theory (DFT) calculations with thermogravimetric (TGA) data to extract reduction and re-oxidation thermodynamics. We compare TCES capacities of CFM with those of CaAl0.2Mn0.8O3−δ (CAM28), a benchmark material. The Fe-lean composition (x = 0.0625) achieves a thermochemical storage capacity of 53 kJ·mol⁻1 O at a re-oxidation temperature of 760 °C and a reduction temperature of 1250 °C (ΔT = 490 °C), excluding sensible heat, exceeding CAM28 by about 20%, and reaching a max of 60 kJ/mol at ΔT = 850 °C. These findings identify Fe-lean CFM as a promising candidate for next-generation thermochemical energy storage.