Graphyne: Optical Excitations and Charge Distributions

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Graphyne is the new wonder material and the optical transitions and charge distributions of different graphyne fragmewnts are investigated using density functional theory calculations.
OriginalsprogEngelsk
TidsskriftJ. Comp. Chem. Mol. Mod.
Vol/bind6
Udgave nummer1
Sider (fra-til)663-676
Antal sider12
DOI
StatusUdgivet - 2023

ID: 383027984