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Updated: Jul 19, 2025

Probe Type II Band Alignment in One-Dimensional Van Der Waals Heterostructures Using First-Principles Calculations
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二维材料的结构和电子特性:一个机器学习引导的预测

Eshwar S Ramanathan1, Chandra Chowdhury2

  • 1Department of Ocean Engineering, Indian Institute of Technology Madras, Chennai, 600036, India.

Chemphyschem : a European journal of chemical physics and physical chemistry
|August 17, 2023
PubMed
概括

一个新的机器学习 (ML) 模型准确地预测二维 (2D) 材料的电子和结构性质. 这加快了发现具有所需特性的新二维材料的速度.

关键词:
乐队间隙 乐队间隙 乐队间隙高吞吐量选的高吞吐量选机器学习是机器学习.两个维的材料是二维材料.单元细胞面积的单位细胞面积.

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