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Updated: Mar 9, 2026

Probe Type II Band Alignment in One-Dimensional Van Der Waals Heterostructures Using First-Principles Calculations
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Probing a General Rule towards Thermodynamic Stabilities of Mono BN-doped Lower Polyenes

Alvi Muhammad Rouf1,2, Jingjing Wu1, Jun Zhu1

  • 1State Key Laboratory of Physical Chemistry of Solid Surfaces, Fujian Provincial Key Laboratory of Theoretical and Computational Chemistry and Department of Chemistry, College of Chemistry and Chemical Engineering, Xiamen University, Xiamen, 361005, China.

Chemistry, an Asian Journal
|January 6, 2017
PubMed

Keywords:
bond dissociation energydensity functional calculationsdopingpolyenesthermodynamic stability

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