Sarıkaya, Ebru Karakaş; Ekincioğlu, Yavuz; Bahçeli, Semiha; Dereli, Ömer

This study aims to identify a cyanidin-3-rutinoside chloride that exhibits both photovoltaic performance and nonlinear optical properties, which may be utilized in the field of optoelectronics. Prior to investigating these properties, the stable structure must be determined. For this purpose, its conformational analysis is performed by the Molecular Force Field method with the spartan program. The exact nature of the stable configuration has been ascertained by empirical evidence. The energy of the stable configuration is -1654184.76 kcal/mol, and its dipole moment is 9.94 Debye. Cyanidin-3-rutinoside chloride has been investigated using experimental FT-IR and Raman spectroscopies. Meanwhile, the DFT method at the B3LYP/6-311 + + G(d, p) level was employed in order to study the simulated FT-IR and Raman spectra, the HOMO-LUMO analysis, the molecular electrostatic potentials (MEP), and the non-linear optical (NLO) characteristics of the title molecule. The HOMO and LUMO energies are − 6.45 and − 3.64 electron volts (eV), respectively, with a gap value of 2.81 eV. Additionally, the title compound’s open-circuit voltage, the transition density matrix light-harvesting efficiency, driving force, and binding energy were calculated with by taking photovoltaic cell properties into account. Furthermore, investigations of hole reorganization energy, electron reorganization energy, and total reorganization energy were carried out at the B3LYP/6-31G(d, p) level for the cyanidin-3-rutinoside chloride of interest. In addition, density of state calculations and NBO were made at the B3LYP/6-31G(d, p) level. We calculated the following values for LHE,,,,, and : 0.06, 2.45 eV, 0.20 eV, 0.56 eV, 0.50 eV, 0.57 eV and 1.06 eV, respectively.

AtıfScopus9·WoS10·OpenAlex12

İncele

Kaya, Yunus

This article presents a single-layer, ultra-thin and multifunctional polarization converter (PC) design using metasurface. The PC, which is proposed as a single layer, consists of a metal metasurface on the front side of a easily accessible FR-4 material and a metal termination on the back surface. The suggested PC features linear polarization (LP) characteristic within a frequency ranges of 5.21- 5.41 GHz and 7.53- 8.08 GHz in C-band, also 10.59- 10.84 GHz in X-band under normal incidence. It indicates the conversion performance of linear polarization to circular polarization (LP-CP) that has the properties of left-handed circular polarization (LHCP) in frequency range of 5.74–7 GHz in C-band and right-handed circular polarization (RHCP) in frequency range of 8.63- 10.15 GHz in X-band. Besides, the suggested PC provides more than 90% polarization conversion ratio (PCR) value in case of normal incidence (0∘) and over 80% PCR value in case of oblique incidence up to 45∘. Again, the suggested PC offers the same CP feature in two frequency regions where CP conversion takes place under normal incidence for angle of incidence up to 60∘. A prototype of suggested PC was produced, measured, and a good match was found between the results simulated via a commercial electromagnetic (EM) simulation program. Finally, the performance of suggested design is compared with existing studies in literature with its high aspects. In this context, the suggested PC may be useful for C- and X-band applications due to its simple structure, ultra-thin and compactness, low-cost, and performance of LP and CP conversion under wide oblique angles.

AtıfScopus4·WoS3·OpenAlex3

İncele