March 31st (Thu) Graduate Seminar / Professor Lim Dae-woon

Design for Proton Conductive Metal-Organic Frameworks

Proton transport is essential and critical in a biological system and electrochemical devices. In particular, the fundamental understanding of the proton transfer in conducting media aids in designing new solid-state electrolytes, which has attracted considerable attention due to its application as fuel cell components. Due to their designability, crystalline porous materials (MOFs or PCPs, and COFs) are emerging as a new type of proton conductor.^[1] For the intrinsic conductivity, porous materials can be functionalized with acid groups or incorporate guest molecules such as water, protic organic molecules, and non-volatile acid for an efficient hydrogen bonding network.^[2] In addition, their high crystalline property is beneficial for understanding conducting paths.

In this seminar, I will talk about proton conductive metal-organic frameworks achieved by various manipulation from the confined conducting media to post-synthetic modifications.^[3] In addition, I will discuss the study of molecular dynamics and structural analysis, providing direct evidence for the proton conduction pathway and mechanism. Specifically, we observed the preferred factor for proton diffusion in MOFs and how conducting species play a crucial role in promoting proton relaying with a hydrogen-bonding network.

[References]

[1] (a) D.-W. Lim, M. Sadakiyo, H. Kitagawa, Chem. Rev., 2020, 120, 8416-8467. (b) Z.-C. Guo, Z.-Q. Shi, X.-Y. Wang, Z.-F. Li, G. Li, Coord. Chem. Rev., 2020, 422, 213465

[2] D.-W. Lim, M. Sadakiyo, H. Kitagawa, Chem. Sci., 2019, 10, 16-33.

[3] (a) D.-W. Lim*, H. Tsukada, A. Shigematsu, T. Yamada, A. E. Khudozhitkov, A. G. Stepanov, D. I. Kolokolov, K. Otsubo, M. Maesato, H. Kitagawa* Chemrxiv: DOI:10.26434/chemrxiv.7319273.v) (b) M. K. Sarango-Ramirez, D.-W. Lim*, D. I. Kolokolov, A. E. Khudozhitkov, A. G. Stepanov, H. Kitagawa* J. Am. Chem. Soc., 2020, 142, 6861-6865. (c) M. K. Sarango-Ramirez, J. Park, J. Kim*, Y. Yoshida, D.-W. Lim*, H. Kitagawa* Angew. Chem. Int. Ed., 2021, 60, 20173-20177.