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The effect of translation on the binding energy for transition-metal porphyrines adsorbed on Ag(111) surface

The characteristics of interaction between six transition-metal porphyrines and the Ag(111) surface are detailed here as resulted from DFT calculations. Van der Waals interactions as well as the strong correlation in 3d orbitals of transition metals were taken into account in all calculations, inclu...

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Wedi'i Gadw mewn:
Manylion Llyfryddiaeth
Cyhoeddwyd yn:Beilstein J Nanotechnol
Prif Awduron: Buimaga-Iarinca, Luiza, Morari, Cristian
Fformat: Artigo
Iaith:Inglês
Cyhoeddwyd: Beilstein-Institut 2019
Pynciau:
Mynediad Ar-lein:https://ncbi.nlm.nih.gov/pmc/articles/PMC6423576/
https://ncbi.nlm.nih.gov/pubmed/30931212
https://ncbi.nlm.nih.govhttp://dx.doi.org/10.3762/bjnano.10.70
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