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Updated: May 27, 2026

Probe Type II Band Alignment in One-Dimensional Van Der Waals Heterostructures Using First-Principles Calculations
Published on: October 12, 2019
ELNES for boron, carbon, and nitrogen K-edges with different chemical environments in layered materials studied by
Jingying Lu1, Shang-Peng Gao, Jun Yuan
1Department of Materials Science, Fudan University, Shanghai 200433, China.
Abstract:
Electron energy-loss near-edge fine structures (ELNES) were calculated for graphene, doped graphene, a hexagonal BN monolayer, and a hexagonal BC₂N layer using an ab initio pseudopotential plane wave method including the core-hole effect. Spectral features that can be used to distinguish different chemical environments are identified. The spectral features are closely related to the atomic species and arrangement. The connection between chemical environments and fine structures is discussed.
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