Investigation of the Use of TiO2 Obtained from Endodontic NiTi Files in Dye-Sensitized Solar Cells

Özgün, Muhammed İhsan; Batibay, Ahmet Burçin; Ünal, Bayram; Eker, Yasin Ramazan; Terlemez, Arslan

doi:10.47112/neufmbd.2023.4

Cited by 4 publications

(2 citation statements)

References 13 publications

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“…On the other hand, in recent years, organic photovoltaic cells have become the focus of great interest in organic materials, such as solar cells [5] . Organic solar devices have emerged as a crucial class of photovoltaic devices [6] because of their advantageous attributes, including a simplified fabrication method and use of organic materials. In addition, conjugated molecules have favorable characteristics for the generating significant photocurrent [7] .…”

Section: Introductionmentioning

confidence: 99%

5‐Bromosalicylaldehyde: Theoretical, Experimental and Spectroscopic (FT‐IR, Raman, H¹and C¹³‐NMR, UV‐Vis) Studies and Their Photovoltaic Parameters

Bahçeli,

Sarıkaya,

Dereli

2024

ChemistrySelect

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This study aims to identify a 5‐bromosalicylaldehyde (5BSA) and assess its performance for application in organic solar cells. In the current work, the 5BSA was investigated using various techniques such as FT‐IR, Raman, NMR, and UV‐Vis spectroscopy to characterize the title molecule. The possible conformers of the 5BSA were studied using the MMFF methodology in Spartan software. The geometry optimization of modifications for each conformation was computed using the DFT approach for the B3LYP/6‐311++G(d,p) functional. The energy and dipole moment of most stable form were determined −1879057.42 kcal/mol and 1.455 Debye, respectively. The FT‐IR and Raman vibrational frequencies, the H1 and C13 NMR chemical shift values (in vacuum and in DMSO‐d6), the UV spectrum calculations (both in vacuum and in the solvent ethanol), the HOMO‐LUMO energy, and the map of MEP. Meanwhile, by considering the properties of organic photovoltaic cells, the open‐circuit voltage (VOC), hole reorganization energy (λh) and electron reorganization energy (λe), light‐harvesting efficiency (LHE), total reorganization energy (λtotal), the short‐circuit current density (Jsc), the driving force (ΔGinject), binding energy (Eb) were also computed for the title compound. In addition, transition density matrix (TDM) and density of states (DOS) analyses were conducted for the 5BSA molecule.

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Section: Introductionmentioning

confidence: 99%

5‐Bromosalicylaldehyde: Theoretical, Experimental and Spectroscopic (FT‐IR, Raman, H¹and C¹³‐NMR, UV‐Vis) Studies and Their Photovoltaic Parameters

Bahçeli,

Sarıkaya,

Dereli

2024

ChemistrySelect

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“…Renewable energy is derived from sources that are continuously or repeatedly replenished using natural processes. These energy sources offer a sustainable and eco-friendly alternative for various applications [2][3][4].…”

Section: Introductionmentioning

confidence: 99%

Assessing the Feasibility of Photovoltaic Systems in Türkiye: Technical and Economic Analysis of On-Grid, Off-Grid, and Utility-Scale PV Installations

Akgayev,

Akbayrak,

Yılmaz

et al. 2024

neufmbd

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Günümüz enerji üretiminin vazgeçilmezi olan fosil yakıtlar, sera gazı emisyonlarını açığa çıkararak önemli çevresel sorunlara neden olmaktadır. Daha temiz ve sürdürülebilir bir alternatif olarak, yenilenebilir enerji kaynakları, özellikle güneş enerjisi, dünya çapında önem kazanmıştır. Özellikle fotovoltaik (FV) sistemler, herhangi bir zararlı yan ürün olmadan elektrik üretmek için güneş enerjisinden yararlanmanın etkili bir yoludur. Bu teknoloji, Türkiye gibi büyük ölçüde fosil yakıtlara bağımlı ve zengin güneş enerjisi potansiyeline sahip ülkeler için büyük umut vaat etmektedir. Bu nedenle, bu çalışma Türkiye'deki FV sistemlerinin fizibilitesini değerlendirmeyi ve potansiyel engelleri keşfetmeyi amaçlamaktadır. Güvenilir ve sürdürülebilir enerji tedariki sağlamak için hem şebekeye bağlı hem de şebekeden bağımsız FV sistemleri dikkate alınır. Bu çalışmada değerlendirme, Türkiye'de farklı coğrafi bölgeleri temsil eden 7 il seçilerek yapılmıştır. Fotovoltaik sistemlerin teknik ve ekonomik fizibilite analizleri için Ulusal Yenilenebilir Enerji Laboratuvarı (NREL) tarafından geliştirilen Sistem Danışmanı Modeli (SAM) kullanılmıştır. SAM simülasyonu, güneş enerjisini kullanan bölgesel konut enerji taleplerini karşılamak üzere tasarlanmış şebeke dışı fotovoltaik sistemlere odaklanarak elektrik üretimi, verimlilik ve kayıplar dahil olmak üzere önemli teknik bilgiler sağlar. Bu çalışmada, İndirgenmiş Enerji Maliyeti (LCOE), İndirgenmiş Depolama Maliyeti (LCOS) ve paranın Net Bugünkü Değeri (NPV) gibi finansal parametreleri göz önünde bulundurarak şebekeden bağımsız FV sistemlerinin ekonomik uygulanabilirliği de araştırılmıştır. Bunlara ek olarak, seçilen şehirler için FV elektrik üretiminin şebeke elektriği ile maliyet açısından rekabet edebilir hale geldiğini gösteren şebeke paritesi kavramı da araştırılmıştır. Bu çalışma, fosil yakıt bazlı elektrik üretimine çekici bir alternatif olarak fotovoltaik sistemleri teşvik eden değerli bilgiler sunmaktadır.k teşvik eder.

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Analysis of the nonlinear optical properties, vibrational spectra, DFT method and photovoltaic performance of cyanidin-3-rutinoside chloride

Sarıkaya,

Ekincioğlu,

Bahçeli

et al. 2024

Opt Quant Electron

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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, $$\:{V}_{oc}$$, $$\:{{\Delta\:}\text{G}}_{\text{i}\text{n}\text{j}\text{e}\text{c}\text{t}}$$, $$\:{E}_{b}$$, $$\:{\lambda\:}_{h}$$, $$\:{\lambda\:}_{e}$$ and $$\:{\lambda\:}_{total}$$ : 0.06, 2.45 eV, 0.20 eV, 0.56 eV, 0.50 eV, 0.57 eV and 1.06 eV, respectively.

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Investigation of the Use of TiO2 Obtained from Endodontic NiTi Files in Dye-Sensitized Solar Cells

Cited by 4 publications

References 13 publications

5‐Bromosalicylaldehyde: Theoretical, Experimental and Spectroscopic (FT‐IR, Raman, H¹and C¹³‐NMR, UV‐Vis) Studies and Their Photovoltaic Parameters

5‐Bromosalicylaldehyde: Theoretical, Experimental and Spectroscopic (FT‐IR, Raman, H¹and C¹³‐NMR, UV‐Vis) Studies and Their Photovoltaic Parameters

Assessing the Feasibility of Photovoltaic Systems in Türkiye: Technical and Economic Analysis of On-Grid, Off-Grid, and Utility-Scale PV Installations

Analysis of the nonlinear optical properties, vibrational spectra, DFT method and photovoltaic performance of cyanidin-3-rutinoside chloride

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Investigation of the Use of TiO2 Obtained from Endodontic NiTi Files in Dye-Sensitized Solar Cells

Cited by 4 publications

References 13 publications

5‐Bromosalicylaldehyde: Theoretical, Experimental and Spectroscopic (FT‐IR, Raman, H1and C13‐NMR, UV‐Vis) Studies and Their Photovoltaic Parameters

5‐Bromosalicylaldehyde: Theoretical, Experimental and Spectroscopic (FT‐IR, Raman, H1and C13‐NMR, UV‐Vis) Studies and Their Photovoltaic Parameters

Assessing the Feasibility of Photovoltaic Systems in Türkiye: Technical and Economic Analysis of On-Grid, Off-Grid, and Utility-Scale PV Installations

Analysis of the nonlinear optical properties, vibrational spectra, DFT method and photovoltaic performance of cyanidin-3-rutinoside chloride

Contact Info

Product

Resources

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5‐Bromosalicylaldehyde: Theoretical, Experimental and Spectroscopic (FT‐IR, Raman, H¹and C¹³‐NMR, UV‐Vis) Studies and Their Photovoltaic Parameters

5‐Bromosalicylaldehyde: Theoretical, Experimental and Spectroscopic (FT‐IR, Raman, H¹and C¹³‐NMR, UV‐Vis) Studies and Their Photovoltaic Parameters