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Alane adsorption on Si(100): simulated STM images

Figshare2017-06-19 更新2026-04-29 收录

吸附模拟

STM图像仿真

数据链接：

https://figshare.com/articles/dataset/Alane_adsorption_on_Si_100_simulated_STM_images/4758046 数据链接链接失效反馈

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资源简介：

Simulated STM images based on VASP CHGCAR output.bSKAN 3.3, MATLAB graphics

应用场景：

创建时间：

2017-06-19

CO2捕获材料

吸附模拟

Pure-silica chabazite is a promising material for capturing CO2 from flue gases in adsorption-based carbon capture and storage. The adsorption of CO2 and N2 on pure-silica chabazite has been studied a

NIAID Data Ecosystem90

A Database of Porous Rigid Amorphous Materials

无定形多孔材料

吸附模拟

Atomically detailed simulations have become an important complement to experimental studies of nanoporous materials. Large databases of crystalline porous material structures have been available for s

NIAID Data Ecosystem40

Supplementary material for "GPU-accelerated classical density functional theo...

吸附模拟

计算材料科学

The data that support the findings of the article "Classical density functional theory for alkane adsorption in cationic Faujasites: comparison with grand canonical Monte Carlo...

B2FIND10

Simulation of the Mechanism of Gas Sorption in a Metal–Organic Framework with Open Metal Sites: Molecular Hydrogen in PCN-61

吸附模拟

分子相互作用

Grand canonical Monte Carlo (GCMC) simulations were performed to investigate hydrogen sorption in an rht-type metal–organic framework (MOF), PCN-61. The MOF was shown to have a large hydrogen uptake,

NIAID Data Ecosystem70

methanethiol_onC_1.xyz

吸附模拟

分子结构计算

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DataCite Commons2023-02-14 更新20

Alane adsorption on Si(100): simulated STM images

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