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Updated: Jul 24, 2025

Vibrational Spectra of a N719-Chromophore/Titania Interface from Empirical-Potential Molecular-Dynamics Simulation, Solvated by a Room Temperature Ionic Liquid
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Vibrational Spectra of a N719-Chromophore/Titania Interface from Empirical-Potential Molecular-Dynamics Simulation, Solvated by a Room Temperature Ionic Liquid

Published on: January 25, 2020

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模拟无形TiO2的水界面,使用深潜分子动力学

Zhutian Ding1, Annabella Selloni1

  • 1Department of Chemistry, Princeton University, Princeton, New Jersey 08544, USA.

The Journal of chemical physics
|July 10, 2023
PubMed
概括

无形二氧化表面表现出独特的水相互作用,与晶体形式相比,水的扩散速度更快,桥接氧化的衰变速度更慢. 这项研究模拟了这些无形接口,以便在电化学应用中更好地理解.

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