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Updated: May 4, 2026

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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从粗谷物溶剂蒸发模拟中获得的原子分辨率的批量异质结合形态

Riccardo Alessandri, Jaakko J Uusitalo, Alex H de Vries

  • 1Ghent Quantum Chemistry Group, Department of Inorganic and Physical Chemistry, Ghent University , Krijgslaan 281 (S3), B-9000 Gent, Belgium.

Journal of the American Chemical Society
|February 18, 2017
PubMed
概括

科学家们开发了一种新的模拟方法来预测大量异质连接有机太阳能电池的形态. 这种方法有助于设计有机太阳能电池和其他软物质设备的高效材料.

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Microscopic Visualization of Porous Nanographenes Synthesized through a Combination of Solution and On-Surface Chemistry08:18

Microscopic Visualization of Porous Nanographenes Synthesized through a Combination of Solution and On-Surface Chemistry

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Residue-Free Fabrication of van der Waals Heterostructures of Two-Dimensional Materials04:57

Residue-Free Fabrication of van der Waals Heterostructures of Two-Dimensional Materials

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相关概念视频

Mass Spectrum: Interpretation01:24

Mass Spectrum: Interpretation

An unknown compound can be established by identifying the molecular ion peak in the mass spectrum. The molecular ion peak is often weak or absent due to the predominance of fragmentation in high-energy electron beams. In such cases, a soft-energy electron beam can be used to scan the spectrum to enhance the intensity of the molecular ion peak. Additionally, chemical ionization, field ionization, and desorption ionization spectra are used to obtain a relatively intense molecular ion peak.To...
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