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Probe Type II Band Alignment in One-Dimensional Van Der Waals Heterostructures Using First-Principles Calculations
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基因描述器搜索算法用于预测二维材料的吸附自由能量

Jaehwan Lee1,2, Seokwon Shin1,2, Jaeho Lee3

  • 1Department of Industrial and Systems Engineering, Dongguk University-Seoul, Seoul, 04620, South Korea.

Scientific reports
|August 5, 2023
PubMed
概括

过渡金属二甲基化物 (TMDs) 显示出作为进化的电催化剂的前景. 一种新的遗传描述符搜索方法有效地预测TMD属性,优于现有的机器学习方法.

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