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Updated: Jul 15, 2025

Probe Type II Band Alignment in One-Dimensional Van Der Waals Heterostructures Using First-Principles Calculations
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Probe Type II Band Alignment in One-Dimensional Van Der Waals Heterostructures Using First-Principles Calculations

Published on: October 12, 2019

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气相和固态电子结构分析和DFT对HfCO的比较分析

Isuru R Ariyarathna1, Yeongsu Cho1, Chenru Duan1,2

  • 1Department of Chemical Engineering, Massachusetts Institute of Technology, Cambridge, MA 02139, USA. hjkulik@mit.edu.

Physical chemistry chemical physics : PCCP
|September 28, 2023
PubMed
概括

本研究使用先进的计算方法研究了哈夫碳 (HfCO) 的电子状态. 它揭示了解离能等关键性质,并探索了相关化合物的趋势,评估了HfCO相互作用的密度功能理论准确性.

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