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Updated: Jun 5, 2025

Multiscale Sampling of a Heterogeneous Water/Metal Catalyst Interface using Density Functional Theory and Force-Field Molecular Dynamics
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Published on: April 12, 2019

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在二维M2C-MXenes中探索吸附和释放:结构和功能见解

Wenzhen Xu1, Liang Sun1, Wenyan Zhai1

  • 1College of Materials Science and Engineering, Xi'an Shiyou University, Xi'an, Shaanxi 710065, People's Republic of China.

Nanotechnology
|December 9, 2024
PubMed
概括

两个维的M2C-MXenes显示了能的前景. 这项研究揭示了它们多样化的吸附和稳定性,Ti2C和Zr2C为原子提供了最稳定的结合.

关键词:
M2C-MXenesenes 是一个第一个原则是第一原则.吸附和释放的吸附和释放.

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