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- W2364598051 abstract "The first-principle density function theory was used to investigate the geometries and electronic properties of different carbon nanocones with 180o disclination on the quantum chemical software DMOL3 platform.The energy and stability of two configurations were discussed according to the morphologies of carbon nanocones.The results show that the band gap,work function,ionization potential and local density of states are sensitive to the position of pentagonal rings in the cone apex.On other hand,it is found that the field emission properties are dependent on the defect of the apex." @default.
- W2364598051 created "2016-06-24" @default.
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- W2364598051 date "2011-01-01" @default.
- W2364598051 modified "2023-09-23" @default.
- W2364598051 title "First-principle calculations of electronic properties of carbon nanocones" @default.
- W2364598051 hasPublicationYear "2011" @default.
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