Electronic structure and second-order nonlinear optical properties of lemniscular [16]cycloparaphenylene compounds

Chiral organic compounds are excellent second-order nonlinear optical (NLO) materials due to their inherent non-symmetric electronic structures combined with the advantages of organic compounds. At present, density functional theory (DFT) has become a powerful tool for predicting the properties of n...

Ausführliche Beschreibung

Bibliographische Detailangaben

Veröffentlicht in:	RSC advances 2020-04, Vol.1 (24), p.13984-1399
Hauptverfasser:	Gong, Li-jing, Ma, Cheng, Lin, Wan-feng, Lv, Jin-kai, Zhang, Xiang-yu
Format:	Artikel
Sprache:	eng
Schlagworte:	Absorption spectra Chemistry Computation Computer simulation Density functional theory Electronic structure Energy gap Nonlinear optics Optical properties Organic chemistry Organic compounds
Online-Zugang:	Volltext
Tags:	Tag hinzufügen Keine Tags, Fügen Sie den ersten Tag hinzu!