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Theoretical studies of optoelectronic, magnetization and heat transport properties of conductive metal adatoms adsorbed on edge chlorinated nanographenes
The electronic structures, magnetization and quantum transport properties of edge chlorinated nanographenes (Cl NGRs) (C1–C3) functionalized with conductive metal adatoms (Al, Au and Cu) has been investigated by means of density functional theory (DFT) with periodic boundary conditions and plane wav...
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| Formato: | Online Artículo Texto |
| Lenguaje: | English |
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The Royal Society of Chemistry
2018
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| Acceso en línea: | https://www.ncbi.nlm.nih.gov/pmc/articles/PMC9080487/ https://www.ncbi.nlm.nih.gov/pubmed/35542078 http://dx.doi.org/10.1039/c8ra02032a |