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Updated: Jun 13, 2025

In situ FTIR Spectroscopy as a Tool for Investigation of Gas/Solid Interaction: Water-Enhanced CO2 Adsorption in UiO-66 Metal-Organic Framework
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In situ FTIR Spectroscopy as a Tool for Investigation of Gas/Solid Interaction: Water-Enhanced CO2 Adsorption in UiO-66 Metal-Organic Framework

Published on: February 1, 2020

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碳基材料与AIREBO和ZBL联合潜力的短距离相互作用的描述

Jing Li1, Tan Shi1, Yichao Sun2,3,4

  • 1School of Nuclear Science and Technology, Xi'an Jiaotong University, Xi'an 710049, China.

Nanomaterials (Basel, Switzerland)
|September 13, 2024
PubMed
概括

准确模拟离子辐射效应需要精确的短距离原子相互作用. 将Ziegler-Biersack-Littmark (ZBL) 与适应性分子间反应实证键序 (AIREBO) 潜能集成,可以改善碳材料的模拟,影响缺陷生成.

关键词:
碳 碳 碳 碳 碳 碳石墨烯是一种石墨烯.离子辐射辐射的离子辐射.辐射损伤的损害分子动力学分子动力学

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