Scopus
YÖKSİS DOI Eşleşti
SJR Q1
Quantum chemical calculations and experimental studies of third-order nonlinear optical properties of conjugated TTF-quinones
Optical Materials · Ocak 2013
YÖKSİS Kayıtları
Quantum chemical calculations and experimental studies of third order nonlinear optical properties of conjugated TTF quinones
Optical Materials · 2013 SCI-Expanded 2 atıf
Prof. Dr. ASLI KARAKAŞ →
YÖKSİS Kayıtları — ISSN Eşleşmesi
Colloidal CuZnSnSe4 xSx nanocrystals for hybrid solar cells
2015 ISSN: 09253467 SCI-Expanded
Prof. Dr. MUSTAFA ERSÖZ →
Quantum chemical calculations and experimental studies of third order nonlinear optical properties of conjugated TTF quinones
2013 ISSN: 09253467 SCI-Expanded 2 atıf
Prof. Dr. ASLI KARAKAŞ →
Theoretical and experimental investigations on the nonlinear optical properties of gold III dithiolene complexes
2013 ISSN: 09253467 SCI-Expanded 3 atıf
Prof. Dr. ASLI KARAKAŞ →
Ab initio and DFT methodologies for computing hyperpolarizabilities and susceptibilities of highly conjugated organic compounds for nonlinear optical applications
2016 ISSN: 09253467 SSCI
Prof. Dr. YUSUF CEYLAN →
Colloidal CuZnSnSe4 xSx nanocrystals for hybrid solar cells
2015 ISSN: 09253467 SCI-Expanded
Öğr. Gör. SÜMEYRA BÜYÜKÇELEBİ →
Ab initio and DFT methodologies for computing hyperpolarizabilities and susceptibilities of highly conjugated organic compounds for nonlinear optical applications
2016 ISSN: 09253467 SCI-Expanded
Prof. Dr. ASLI KARAKAŞ →
Third order nonlinear optical properties of CdTe/CdSe Quasi Type-II Colloidal Quantum Dots
2021 ISSN: 0925-3467 SCI-Expanded Q2
Doç. Dr. YASEMİN GÜNDOĞDU KABAKCI →
An improvement on the conversion efficiency of Si/CZTS solar cells by LSPR effect of embedded plasmonic Au nanoparticles
2020 ISSN: 0925-3467 SCI
Doç. Dr. SERAP YİĞİT GEZGİN →
Numerical analysis of CZTS/n-Si solar cells using SCAPS-1D. A comparative study between experimental and calculated outputs
2021 ISSN: 0925-3467 SCI-Expanded Q2
Doç. Dr. SERAP YİĞİT GEZGİN →
Third order optical nonlinear properties of gold (Au) nanoparticles synthesized by green laser ablation in bio-based poly(ε-caprolactone) solution
2022 ISSN: 0925-3467 SCI-Expanded Q2
Doç. Dr. YASEMİN GÜNDOĞDU KABAKCI →
Observation of negative photoresponse in joule-heated Au/Cu2SnS3 ternary chalcogenide thin film deposited by low energy pulsed laser deposition
2022 ISSN: 0925-3467 SCI-Expanded Q2
Doç. Dr. SERAP YİĞİT GEZGİN →
Modelling and investigation of the electrical properties of CIGS/n-Si heterojunction solar cells
2022 ISSN: 0925-3467 SCI-Expanded Q2
Doç. Dr. SERAP YİĞİT GEZGİN →
Comparison of Al/TiO2/p-Si and Al/ZnO/p-Si photodetectors
2023 ISSN: 0925-3467 SCI-Expanded Q2
Prof. Dr. MURAT YILDIRIM →
Cd-supported CuO-ZnO binary oxide thin films: Synthesis, microstructural, and optoelectronic properties
2024 ISSN: 0925-3467 SCI-Expanded Q1
Prof. Dr. RAŞİT AYDIN →
Growth and characterization of Fe-doped CuO/ZnO binary oxide thin films for possible optoelectronic applications
2024 ISSN: 0925-3467 SCI-Expanded Q1
Prof. Dr. RAŞİT AYDIN →
Self-powered narrowband near-infrared photodetector based on polyoxometalate compound
2025 ISSN: 0925-3467 SCI-Expanded Q1
Prof. Dr. MURAT YILDIRIM →
Self-powered narrowband near-infrared photodetector based on polyoxometalate compound
2025 ISSN: 0925-3467 SCI-Expanded Q1
Öğr. Gör. SÜMEYRA BÜYÜKÇELEBİ →
Makale Bilgileri
Dergi
Optical Materials
ISSN09253467
Yayın TarihiOcak 2013
Cilt / Sayfa36 · 22-26
Scopus ID2-s2.0-84886294644
Özet
To investigate microscopic third-order nonlinear optical (NLO) behaviour of two tetrathiafulvalene (TTF) derivatives, TTF-diquinone triad (1) and TTF-monoquinone dyad (2), we have computed both dispersion-free and also dispersion of dipole polarizabilities (α) and third-order hyperpolarizabilities (γ) at 532 nm wavelength using time-dependent Hartree-Fock (TDHF) method. The one-photon absorption (OPA) characterizations of the title molecules have been theoretically obtained by means of configuration interaction (CI) method with all doubly occupied molecular orbitals. We have also calculated the dynamic third-order susceptibilities (χ(3)) using the TDHF method. Our theoretical results on the maximum OPA wavelengths, third-order susceptibilities and corresponding microscopic NLO responses are in good agreement with the previous experimental observations of the examined TTF-based molecules. The highest occupied molecular orbitals (HOMO), the lowest unoccupied molecular orbitals (LUMO) and the HOMO-LUMO band gaps for 1 and 2 have been evaluated by density functional theory (DFT) quantum mechanical calculations at B3LYP/6-31G(d, p) level. © 2013 Elsevier B.V. All rights reserved.
Yazarlar (6)
1
Asli Karakas
ORCID: 0000-0002-9034-5840
2
A. Migalska-Zalas
3
Youssef El kouari
ORCID: 0000-0001-8681-8011
4
Aysun Gozutok
ORCID: 0000-0002-7294-2916
5
Mustafa Karakaya
6
S. Touhtouh
Anahtar Kelimeler
Dipole polarizability
Onephoton absorption
Third-order hyperpolarizability
Third-order susceptibility
Time-dependent Hartree-Fock
Kurumlar
Faculté des Sciences d'El Jadida
El Jadida Morocco
Faculté des Sciences et Techniques de Mohammedia
Mohammedia Morocco
J. Dlugosz Academy of Czestochowa
Poland
Selçuk Üniversitesi
Selçuklu Turkey
Scimago Dergi (ISSN Eşleşmesi)
Optical Materials
Q1
SJR Skoru0,654
H-Index136
YayıncıElsevier B.V.
ÜlkeNetherlands
Inorganic Chemistry (Q1)
Atomic and Molecular Physics, and Optics (Q2)
Computer Science (miscellaneous) (Q2)
Electrical and Electronic Engineering (Q2)
Electronic, Optical and Magnetic Materials (Q2)
Organic Chemistry (Q2)
Physical and Theoretical Chemistry (Q2)
Spectroscopy (Q2)
Metrikler
26
Atıf
6
Yazar
5
Anahtar Kelime