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Electronic and Structural Properties of Two-Dimensional Carbon Nitride Graphenes

✍ Scribed by Deifallah, Malek; McMillan, Paul F.; Corà, Furio

Book ID
126985225
Publisher
American Chemical Society
Year
2008
Tongue
English
Weight
297 KB
Volume
112
Category
Article
ISSN
1932-7447

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## Abstract A series of carbon nitride structures have been generated, by using a classical potential in a Metropolis Monte Carlo liquid quench procedure. The resulting structures are relaxed further using the density functional theory approach. Structures are generated for various mass densities a