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Updated: Jun 27, 2025

Multiscale Sampling of a Heterogeneous Water/Metal Catalyst Interface using Density Functional Theory and Force-Field Molecular Dynamics
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使用贝叶斯力场的Au表面的低指数介质镜面重建.

Cameron J Owen1,2, Yu Xie3, Anders Johansson3

  • 1Department of Chemistry and Chemical Biology, Harvard University, Cambridge, MA, USA. cowen@g.harvard.edu.

Nature communications
|May 6, 2024
PubMed
概括

这项研究使用先进的模拟来揭示金属表面是如何重建的,揭示了关于表面动态和特性的新细节. 这些发现为表面重建现象提供了统一的机制解释.

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相关概念视频

Atomic Force Microscopy01:08

Atomic Force Microscopy

Atomic force microscopy (AFM) is a type of scanning probe microscopy that can analyze topographic details of various specimens like ceramics, glass, polymers, and biological samples. AFM offers over 1000 times more resolution than the optical imaging system. Images generated from AFM are three-dimensional surface profiles, offering an advantage over the flat, two-dimensional images from other imaging techniques.
The AFM Probe
The probe is regarded as the heart of any AFM setup and comprises the...
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