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Optical and morphological properties of DCM thin films co-doped of Znq2 by PVD: Theoretical and experimental investigations

Vacuum · Nisan 2024

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Optical and morphological properties of DCM thin films co-doped of Znq2 by PVD: Theoretical and experimental investigations
Vacuum · 2024 SCI-Expanded
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Makale Bilgileri

DergiVacuum
Yayın TarihiNisan 2024
Cilt / Sayfa222
Özet In this article, new experimental results of the morphological and optical properties of thin films of 4-(dicyanomethylene)-2-methyl-6-(4-dimethylaminostyryl)-4H-pyran co-doped by 8-hydroxyquinoline zinc (Znq2) for different concentrations were presented. The physical vapor deposition in a high vacuum was used to create the thin films on glass substrates with a thickness of 100 nm. The morphological properties of the samples were identified using the Atomic Force Microscopy (AFM) apparatus in tapping mode. TEM images show amorphous structures. The phase composition of the samples was assessed using FTIR methods. The Tauc plot approach was used to examine the measured transmittance spectra in order to estimate the energy gap. Analysis of the results showed that the co-doping of DCM thin film by Znq2 influenced the structural and optical properties of the samples. To evaluate the experimental results found, theoretical calculations based on the maximum one-photon absorption (OPA) wavelengths of DCM and Znq2 have been first measured through the UV–Vis spectral technique. Then, the experimental conclusions on values for DCM and Znq2 have been compared with their corresponding simulation data procured from the time-dependent self-consistent-field (TD-SCF) computation utilizing the density functional theory (DFT) at B3LYP/6-311G(d,p) level. Besides, we have explored the first and second frontier molecular orbitals (MOs) for title compounds and their energy gaps via the DFT procedure. The calculations of maximum OPA wavelengths and the highest occupied molecular orbital (HOMO) and the lowest unoccupied molecular orbital (LUMO) contributions on both molecules have also been crosschecked with the results of already published data in the literature.

Yazarlar (12)

1
Amina Laouid
ORCID: 0000-0002-4529-6496
2
Amine Alaoui Belghiti
ORCID: 0000-0001-7465-9842
3
Krzysztof Wisniewski
ORCID: 0000-0003-0681-7727
4
Janusz Strzelecki
ORCID: 0000-0002-7830-7315
5
Asli Karakas
ORCID: 0000-0002-9034-5840
6
Aysun Gozutok
ORCID: 0000-0002-7294-2916
7
Youssef El kouari
ORCID: 0000-0001-8681-8011
8
Amal Bouich
9
Mouhaydine Tlemçani
10
Przemyslaw Plociennik
ORCID: 0000-0002-2115-264X
11
Abdelowahed Hajjaji
12
Anna Zawadzka
ORCID: 0000-0002-1599-5675

Anahtar Kelimeler

AFM DCM - Znq thin film 2 Density functional theory FTIR PVD TEM UV–Vis spectroscopy

Kurumlar

Faculté des Sciences et Techniques de Mohammedia
Mohammedia Morocco
Selçuk Üniversitesi
Selçuklu Turkey
Universitat Politècnica de València
Valencia Spain
Université Chouaib Doukkali
El Jadida Morocco
University of Évora
Evora Portugal
Uniwersytet Mikołaja Kopernika w Toruniu
Torun Poland

Metrikler

15
Atıf
12
Yazar
7
Anahtar Kelime

Sistemimizdeki Yazarlar