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Electronic Properties of Triangle-Shaped Graphene Nanoflakes from TAO-DFT
[Image: see text] Reliable prediction of the properties of nanosystems with radical nature has been tremendously challenging for common computational approaches. Aiming to overcome this, we employ thermally-assisted-occupation density functional theory (TAO-DFT) to investigate various electronic pro...
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| Udgivet i: | ACS Omega |
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| Main Authors: | , |
| Format: | Artigo |
| Sprog: | Inglês |
| Udgivet: |
American Chemical Society
2019
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| Online adgang: | https://ncbi.nlm.nih.gov/pmc/articles/PMC6732987/ https://ncbi.nlm.nih.gov/pubmed/31508542 https://ncbi.nlm.nih.govhttp://dx.doi.org/10.1021/acsomega.9b01259 |
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