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Updated: Sep 19, 2025

Multiscale Sampling of a Heterogeneous Water/Metal Catalyst Interface using Density Functional Theory and Force-Field Molecular Dynamics
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Direct Imaging of Co-CUK-1 Framework with H2O Guests

Dong-Hwan Yang1,2, Minjeong Kim1,2, Jinyoung Ko3

  • 1Department of Materials Science and Engineering, Pohang University of Science and Technology (POSTECH), 77 Cheongam-ro, Nam-gu, Pohang, 37673, Republic of Korea.

Small (Weinheim an Der Bergstrasse, Germany)
|June 4, 2025
PubMed

Keywords:
ab‐initio calculationschannel‐orientationin situ heating Raman spectroscopymetal–organic frameworksscanning transmission electron microscopy

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