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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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Multiscale Sampling of a Heterogeneous Water/Metal Catalyst Interface using Density Functional Theory and Force-Field Molecular Dynamics

Published on: April 12, 2019

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与H2O客人一起对Co-CUK-1框架的直接成像

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
概括

金属有机框架 (MOFs) 显示了多功能的主机-客户互动. 这项研究揭示了水分子如何在Co-CUK-1 MOF中使用先进的显微镜和计算来表现,保持高达120°C的稳定性.

关键词:
在 ab-initio 的计算中.频道导向 - 频道导向在现场加热 拉曼光谱 拉曼光谱金属有机的框架.扫描传输电子显微镜扫描传输电子显微镜

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