Determine the Relative Aromaticity of Bilayer Graphyne, Bilayer Graphdiyne, and Bilayer Graphtriyne
The electronic structure characteristics of bilayer graphyne, bilayer graphdiyne, and bilayer graphtriyne were systematically studied using molecular orbital (MO) analysis, density of states (DOS), and interaction region indicator (IRI) methods. The delocalization characteristics of the out-of-plane...
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Main Authors: | Gang Zhang, Xinwen Gai, Lulu Sun, Ji Ma |
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Format: | Article |
Language: | English |
Published: |
MDPI AG
2025-01-01
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Series: | Molecules |
Subjects: | |
Online Access: | https://www.mdpi.com/1420-3049/30/2/365 |
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