Electronic transport properties in the stable phase of a cumulene/B 7/cumulene molecular bridge investigated using density functional theory and a tight-binding …
M Qasemnazhand, F Khoeini… - New Journal of …, 2019 - pubs.rsc.org
In this study, we first obtain the single-band tight-binding parameters of a B7 cluster in terms
of matching the HOMO–LUMO levels obtained from density functional theory (DFT). Next …
of matching the HOMO–LUMO levels obtained from density functional theory (DFT). Next …
[PDF][PDF] Electronic transport properties in the stable phase of a cumulene/B7/cumulene molecular bridge investigated using density functional theory and a tight-binding …
M Qasemnazhand, F Khoeini, S Shekarforoush - researchgate.net
In this study, we first obtain the single-band tight-binding parameters of a B7 cluster in terms
of matching the HOMO–LUMO levels obtained from density functional theory (DFT). Next …
of matching the HOMO–LUMO levels obtained from density functional theory (DFT). Next …
[PDF][PDF] Electronic transport properties in the stable phase of a cumulene/B7/cumulene molecular bridge investigated using density functional theory and a tight-binding …
M Qasemnazhand, F Khoeini, S Shekarforoush - researchgate.net
In this study, we first obtain the single-band tight-binding parameters of a B7 cluster in terms
of matching the HOMO–LUMO levels obtained from density functional theory (DFT). Next …
of matching the HOMO–LUMO levels obtained from density functional theory (DFT). Next …