相关实验视频

Updated: Sep 16, 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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使用SCAN和r2SCAN函数来评估氧化物表面上被吸附的CO的振动频率

Alexander Contreras-Payares1,2, Pablo G Lustemberg1, M Verónica Ganduglia-Pirovano1

  • 1Institute of Catalysis and Petrochemistry, ICP, Spanish National Research Council, CSIC, 28049 Madrid, Spain.

The Journal of chemical physics
|July 8, 2025
PubMed
概括

像SCAN和r2SCAN这样的Meta-GGA函数不能准确地预测表面的一氧化碳 (CO) 振动频率. 混合密度函数理论 (DFT) 对于解释实验数据至关重要.

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IR Spectroscopy: Hooke's Law Approximation of Molecular Vibration

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The underlying principle of Raman spectroscopy is based on the interaction between light and matter, specifically molecules' inelastic scattering of photons. When a monochromatic beam of light, typically from a laser source, interacts with a sample, most scattered light has the same frequency as the incident light. This is known as Rayleigh scattering.
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