supplementary material
Year: 2025
Type: supplementary-materials
Abstract: The supplementary material provides the models of pristine h-BNQDs and variation of HOMO-LUMO gap with different size; models, formation energy per C atom and projected density of states for different distribution configurations concerning carbon-based defects; the energies of the spin-active defects for the singlet state, the triplet state, and the difference between the them; spectral map of various color centers in h-BN matrix; charge-transfer index of C2, C4, C6, and C8; the spin-resolved energy level diagrams of VB− defect models under D3h point group.
Source: Figshare
Authors: Du, Tingli, Yang, Xiaowei, Pei, Wei, Han, Pingping, Feng, Yonglei, Zhao, Jijun, Zhou, Si
Language: English
Subfield: Materials Chemistry
Field: Materials Science
Domain: Physical Sciences
Open Access status: green
OpenAlex ID: W6940157999
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