Thermodynamic guiding principles of high-capacity phase transformation materials for splitting H2O and CO2 by thermochemical looping

Zhai, Shang; Nam, Joonhyun; Sai Gautam, Gopalakrishnan; Lim, Kipil; Rojas, Jimmy; Toney, Michael F.; Carter, Emily A.; Jung, In-Ho; Chueh, William C.; Majumdar, Arun

doi:10.1039/d1ta10391a

Title: Thermodynamic guiding principles of high-capacity phase transformation materials for splitting H₂O and CO₂ by thermochemical looping

Journal Article · 07 January 2022 · Journal of Materials Chemistry. A

DOI: https://doi.org/10.1039/d1ta10391a · OSTI ID:1862336

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^[2];

^[3]; Lim, Kipil ^[4]; Rojas, Jimmy ^[1];

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^[6]; Jung, In-Ho ^[2];

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Stanford Univ., CA (United States)
Seoul National Univ. (Korea, Republic of)
Princeton Univ., NJ (United States)
Stanford Univ., CA (United States); SLAC National Accelerator Lab., Menlo Park, CA (United States)
Univ. of Colorado, Boulder, CO (United States)
Princeton Univ., NJ (United States); Univ. of California, Los Angeles, CA (United States)

Here, thermochemical looping splitting of water and carbon dioxide (CO₂) with greenhouse-gas-free (GHG-free) energy has the potential to help address the Gt-scale GHG emissions challenge. Reaction thermodynamics largely contributes to the main bottlenecks of cost reduction for thermochemical looping water/CO₂ splitting cycle. Here, we analyze thermodynamic driving forces in such cycles with two-phase ternary ferrites as model systems. We find that cation configurational entropy chiefly determines the change of partial molar entropy with oxygen stoichiometry. In addition, our phase diagram analysis accurately predicts the optimal Fe ratio for maximal water/CO₂ splitting capacity in thermal reduction and in chemical reduction based cycles, underlining the significance of phase boundary positions. With chemical reduction, >10% CO₂ conversion and high oxygen exchange capacity can both be achieved. Furthermore, our reduced Gibbs free energy model illustrates critical thermodynamic factors that influence the water/CO₂ splitting capacity. Our research reveals the thermodynamic driving forces underlying the unconventional high-capacity Fe-poor ferrites, further explained via phase diagrams of Fe–Co–O, Fe–Ni–O and Fe–Mg–O. Future materials improvements can be guided by our reduced Gibbs free energy model.

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Research Organization:: SLAC National Accelerator Laboratory (SLAC), Menlo Park, CA (United States)

Sponsoring Organization:: USDOE Office of Energy Efficiency and Renewable Energy (EERE), Transportation Office. Fuel Cell Technologies Office; USDOE Laboratory Directed Research and Development (LDRD) Program; USDOE Office of Science (SC), Basic Energy Sciences (BES); Office of Naval Research (ONR); Stanford SUNCAT; Stanford TomKat

Grant/Contract Number:: AC02-76SF00515; EE0008090

OSTI ID:: 1862336

Journal Information:: Journal of Materials Chemistry. A, Journal Name: Journal of Materials Chemistry. A Journal Issue: 7 Vol. 10; ISSN 2050-7488

Publisher:: Royal Society of ChemistryCopyright Statement

Country of Publication:: United States

Language:: English

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Title: Thermodynamic guiding principles of high-capacity phase transformation materials for splitting H₂O and CO₂ by thermochemical looping