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Observing and Modeling the Sequential Pairwise Reactions that Drive Solid-State Ceramic Synthesis
| Title: | Observing and Modeling the Sequential Pairwise Reactions that Drive Solid-State Ceramic Synthesis |
| Authors: | Miura, Akira Browse this author →KAKEN DB | | Bartel, Christopher J. Browse this author | | Goto, Yosuke Browse this author | | Mizuguchi, Yoshikazu Browse this author | | Moriyoshi, Chikako Browse this author | | Kuroiwa, Yoshihiro Browse this author | | Wang, Yongming Browse this author | | Yaguchi, Toshie Browse this author | | Shirai, Manabu Browse this author | | Nagao, Masanori Browse this author | | Rosero-Navarro, Nataly Carolina Browse this author | | Tadanaga, Kiyoharu Browse this author →KAKEN DB | | Ceder, Gerbrand Browse this author | | Sun, Wenhao Browse this author |
| Keywords: | ab initio thermodynamics | | ceramics | | phase evolution | | predictive synthesis | | solid‐state synthesis | | YBa2Cu3O(6+)(x) |
| Issue Date: | 9-Jun-2021 |
| Publisher: | Wiley-Blackwell |
| Journal Title: | Advanced Materials |
| Volume: | 33 |
| Issue: | 24 |
| Start Page: | 2100312 |
| Publisher DOI: | 10.1002/adma.202100312 |
| Abstract: | Solid-state synthesis from powder precursors is the primary processing route to advanced multicomponent ceramic materials. Designing reaction conditions and precursors for ceramic synthesis can be a laborious, trial-and-error process, as heterogeneous mixtures of precursors often evolve through a complicated series of reaction intermediates. Here, ab initio thermodynamics is used to model which pair of precursors has the most reactive interface, enabling the understanding and anticipation of which non-equilibrium intermediates form in the early stages of a solid-state reaction. In situ X-ray diffraction and in situ electron microscopy are then used to observe how these initial intermediates influence phase evolution in the synthesis of the classic high-temperature superconductor YBa2Cu3O6+x (YBCO). The model developed herein rationalizes how the replacement of the traditional BaCO3 precursor with BaO2 redirects phase evolution through a low-temperature eutectic melt, facilitating the formation of YBCO in 30 min instead of 12+ h. Precursor selection plays an important role in tuning the thermodynamics of interfacial reactions and emerges as an important design parameter in planning kinetically favorable synthesis pathways to complex ceramic materials. |
| Type: | article |
| URI: | http://hdl.handle.net/2115/81745 |
| Appears in Collections: | 工学院・工学研究院 (Graduate School of Engineering / Faculty of Engineering) > 雑誌発表論文等 (Peer-reviewed Journal Articles, etc)
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