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Updated: Jun 29, 2025

Atomic Layer Deposition of Vanadium Dioxide and a Temperature-dependent Optical Model
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Atomic Layer Deposition of Vanadium Dioxide and a Temperature-dependent Optical Model

Published on: May 23, 2018

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密度函数理论在模拟金属-金属单体结合中的挑战:二元化VO2的案例研究

Yubo Zhang1, Da Ke1, Junxiong Wu1

  • 1Minjiang Collaborative Center for Theoretical Physics, College of Physics and Electronic Information Engineering, Minjiang University, Fuzhou, China.

The Journal of chemical physics
|April 1, 2024
PubMed
概括

密度函数理论 (DFT) 努力准确地模拟二氧化的绝缘阶段,未能预测V-V二次长度. 这阻碍了对VO2中的金属绝缘体过渡机制的理解.

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Multiscale Sampling of a Heterogeneous Water/Metal Catalyst Interface using Density Functional Theory and Force-Field Molecular Dynamics10:52

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Vibrational Spectra of a N719-Chromophore/Titania Interface from Empirical-Potential Molecular-Dynamics Simulation, Solvated by a Room Temperature Ionic Liquid08:54

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