Bethe–Salpeter Study of the Optical Absorption of trans and cis Azobenzene-Functionalized Metal–Organic Frameworks Using Molecular and Periodic Models

The optical absorption spectra of the azobenzene-functionalized metal–organic framework (MOF), PCN-123, are calculated in cis and trans configurations using the Bethe–Salpeter equation (BSE) formalism and the GW approximation using periodic and nonperiodic models. In the visible, near-UV, and mid-UV...

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Veröffentlicht in:	Journal of physical chemistry. C 2021-04, Vol.125 (13), p.7401-7412
Hauptverfasser:	Kshirsagar, Aseem Rajan, Attaccalite, Claudio, Blase, Xavier, Li, Jing, Poloni, Roberta
Format:	Artikel
Sprache:	eng
Schlagworte:	C: Physical Properties of Materials and Interfaces Physics
Online-Zugang:	Volltext
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