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Updated: Sep 19, 2025

Probe Type II Band Alignment in One-Dimensional Van Der Waals Heterostructures Using First-Principles Calculations
Published on: October 12, 2019
Jing-Cai Zeng1, Xuan-Yu Song1, Ze-Fan Yao1
1Beijing National Laboratory for Molecular Sciences (BNLMS), Key Laboratory of Bioorganic Chemistry and Molecular Engineering of Ministry of Education, Center of Soft Matter Science and Engineering, College of Chemistry and Molecular Engineering, Peking University, Beijing, 100871, P.R. China.
This study introduces novel boron- and nitrogen-doped coronenes, revealing unique electronic and photophysical properties. These BN-doped materials exhibit enhanced π-π stacking and ordered assembly, leading to excimer emission.
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