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Atomic Force Microscopy

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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Updated: Jan 13, 2026

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

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

Published on: April 12, 2019

功能性不完善的多层次操纵原子接口的原子接口.

Mengyang Zhang^1,2, Xiang Luo¹, Dingyang Zhou¹

¹School of Chemistry and Molecular Engineering, Nanjing Tech University, Nanjing 211816, China.

Accounts of chemical research

|January 6, 2026

概括

不完美的原子接口 (IAI) 通过利用结构缺陷和对称性破坏,提供增强的催化活性. 这些接口的精确构造和稳定性是先进的能源转换和储存应用的关键.

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Last Updated: Jan 13, 2026

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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科学领域:

材料科学材料科学材料科学
催化剂是一种催化剂.
表面化学表面化学

背景情况:

具有完美的晶体接口的传统催化剂具有固有的活性限制.
不完美的原子接口 (IAI) 具有结构缺陷和对称性破坏,使其具有可调节的电子特性.
国际能源机构提供了一个有前途的战略,以克服传统催化剂在能源转化和储存方面的局限性.

研究的目的:

系统地总结过去十年开发的IAI的设计和功能化策略.
阐明IAI在合成高价值化学品和转化小分子方面的独特作用.
为开发基于IAI的高性能催化剂提供理论框架和实践方法.

主要方法:

多级结构调节,包括界面空间限制,模板引导组装和竞争性化学键调制.
调整旋转状态,轨道电子配置或接口原子的电荷分布.
结合理论计算和现场表征来进行界面分析和优化.

主要成果:

IAI暴露了高度活跃的不和位点,并通过合理的界面操纵优化了电子传输路径.
诸如异原子协调等策略微调d波段中心,促进电子转移,增强催化功能.
该研究强调了IAI结构和催化性能之间的内在关系.

结论:

通过利用受控的缺陷,IAI为设计先进催化剂提供了一个新的平台.
具有定制缺陷配置的IAI的精确构造和稳定性对于工业催化是至关重要的.
国际化工机构为各种化学转化提供了通往高性能催化剂的可行途径.