Band structures of periodic porphyrin nanostructures

Band structures of periodic porphyrin nanostructures

Recent progress in the synthesis of π-conjugated porphyrin arrays of different shapes and dimensionalities motivates us to examine the band structures of infinite (periodic) porphyrin nanostructures. We use screened hybrid density functional theory simulations and Wannier function interpolation to o...

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Dettagli Bibliografici
Autori principali:	Posligua, V, Aziz, A, Haver, R, Peeks, MD, Anderson, HL, Grau-Crespo, R
Natura:	Journal article
Pubblicazione:	American Chemical Society 2018

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