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J. Mater. Chem. A (1)

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Upscaling from Ab Initio Atomistic Simulations to Electrode Scale: The Case of Manganese Hexacyanoferrate, a Cathode Material for Na-Ion Batteries

Yuan-Chi Yang ¹, Eric Woillez ¹, Quentin Jacquet ², and Ambroise Van Roekeghem ^1,*

¹Université Grenoble Alpes, CEA, Liten, DEHT, 38000, Grenoble, France
²Université Grenoble Alpes, CEA, CNRS, Grenoble INP, IRIG, SyMMES, 38000, Grenoble, France

^*Contact author: ambroise.vanroekeghem@cea.fr

Integration of experimental insights and computational modeling for all-solid-state batteries

Shivam Kansara, Om Trivedi, Seungwon Lee, Rutva Maheta, Hyeona Park, Shizhao Xiong, Dominic Bresser, Dan Zhou, Sanjeev K. Gupta, P. N. Gajjar, and Jang-Yeon Hwang

J. Mater. Chem. A 14 29613 (2026)

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