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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

Identifying the trend of reactivity for sp2 materials: an electron delocalization model from first principles

Ziyun Wang1, Bo Yang, Yulong Wang

  • 1State Key Laboratory of Chemical Engineering, Center for Computational Chemistry and Research Institute of Industrial Catalysis, East China University of Science and Technology, Shanghai, P R China.

Physical Chemistry Chemical Physics : PCCP
|May 21, 2013
PubMed

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