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Updated: Jan 14, 2026

Probe Type II Band Alignment in One-Dimensional Van Der Waals Heterostructures Using First-Principles Calculations
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在化网络中应用波动电荷模型

Angus Heafield1, Mark Wilson1

  • 1Physical and Theoretical Chemistry Laboratory, Department of Chemistry, University of Oxford, South Parks Road, Oxford OX1 3QZ, United Kingdom.

The Journal of chemical physics
|January 13, 2026
PubMed
概括

一种新的波动电荷模型 (FCM) 准确地预测化原子电荷,显示出对局部原子环境的强烈依赖. 这个模型有助于理解无序网络中的电荷行为.

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