NONLINEAR OPTICAL AND SPECTRAL PROPERTIES OF HYDROQUINONE & FULLERENE SYSTEMS

Yıl 2021, , 47 - 53, 30.08.2021

Orkun Ergürhan , Cemal Parlak , Özgür Alver

https://doi.org/10.20290/estubtdb.923753

Öz

Nonlinear optical (NLO) materials have highly interesting photo-physical behaviors, which have a wide variety of applications, from optoelectronics to medicine. NLO properties together with infrared (IR) and nuclear magnetic resonance (NMR) analyses on the interaction between hydroquinone (HQ) and pristine and boron or silicon doped C60 fullerene systems have been investigated by density functional theory (DFT). C60@HQ systems in the cis and especially trans forms have NLO applications. The obtained results related to optical properties such as polarizability and first hyperpolarizability may have useful predictive values which can be of interest.

Anahtar Kelimeler

Nonlinear optics, Fullerene, Hydroquinone, DFT

NONLINEAR OPTICAL AND SPECTRAL PROPERTIES OF HYDROQUINONE & FULLERENE SYSTEMS

Öz

Çizgisel olmayan optik malzemeler, opto elektronikten tıbba kadar çok çeşitli uygulamalar için elverişli, oldukça ilginç foto-fiziksel davranışlara sahiptir. Hidrokinon ile katkılanmamış ve bor veya silikon katkılı C60 fulleren sistemler arasındaki etkileşimin çizgisel olmayan optik özellikleri, infrared ve nükleer manyetik rezonans analizleri yoğunluk fonksiyonel teorisi ile incelenmektedir. Cis ve özellikle trans formlarındaki C60@HQ sistemleri çizgisel olmayan optik uygulamalara sahiptir. Polarizabilite ve hiperpolarizabilite gibi optik özelliklerle ilgili elde edilen sonuçlar, ilgi çekici olabilecek yararlı tahmin değerlerine sahip olabilir.

Anahtar Kelimeler

Fullerene, Yoğunluk Fonksiyonel Teorisi, Hidrokinon, Çizgisel olmayan optik özellikler

Kaynakça

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