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Updated: Jul 4, 2025

Probe Type II Band Alignment in One-Dimensional Van Der Waals Heterostructures Using First-Principles Calculations
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使用梯度增强和统计特征选择工作流程的无机材料带间隙的自动预测

Son Gyo Jung1,2,3, Guwon Jung1,3,4, Jacqueline M Cole1,2,3

  • 1Cavendish Laboratory, Department of Physics, University of Cambridge, J. J. Thomson Avenue, Cambridge CB3 0HE, U.K.

Journal of chemical information and modeling
|February 6, 2024
PubMed
概括

本研究引入了一个渐变增强的特征选择工作流程,用于机器学习模型来预测材料特性. 该方法提高了分类金属度和预测带间隙的准确性,优于现有方法.

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UV–Vis Spectroscopy: Molecular Electronic Transitions01:16

UV–Vis Spectroscopy: Molecular Electronic Transitions

In Ultraviolet–Visible (UV–Vis) spectroscopy, the absorption of electromagnetic radiation is used to probe the electronic structure of molecules. This technique provides insights into molecular electronic transitions, particularly the movement of electrons between different molecular orbitals. Radiation is absorbed if the energy of the electromagnetic radiation passing through the molecule is precisely equal to the energy difference between the excited and ground states. During this...
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