Scopus İndeksli Yayınlar Koleksiyonu / Scopus Indexed Publications Collection
Permanent URI for this collectionhttps://hdl.handle.net/11147/7148
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Article Investigation of the Experimental and Theoretical Band Gap of Pbvo3cl for Use in Energy Conversion Devices(Pergamon-elsevier Science Ltd, 2024) Harmanli, Ipek; Aytekin, Ahmet; Gol, Emre Yusuf; Eanes, Mehtap; Karabudak, EnginThe major goal of the research described in this paper is to investigate the structure of electronic band and band gap of the novel semiconductor lead (II) trioxovanadate (V) chloride (PbVO3Cl). 3 Cl). Depending on both experimental and theoretical (computational) results, the utility of PbVO3Cl 3 Cl as a semiconductor in solar fuel devices was discussed. The optical band gap was determined experimentally by applying Tauc Plot method to the absorption spectra of PbVO3Cl. 3 Cl. Additionally, computational approaches for the structure prediction of PbVO3Cl 3 Cl have been studied. The electronic band structures were examined theoretically using local density (LDA), generalized gradient (GGA), and hybrid (HSE06) approximations. PbVO3Cl, 3 Cl, which has an optical band gap of about 2.2 eV, has been shown to have promising photocatalytic properties. As a result of these approximations, the transition type of PbVO3Cl 3 Cl was determined as indirect. We also discussed the potential future application of PbVO3Cl 3 Cl in Lewis solar fuel devices as a combination of the photoanode and Si photocathode. And the solar efficiency of the PbVO3Cl-Si 3 Cl-Si double-layer semiconductor system was calculated. Further experimental proofs can be important.Article Citation - WoS: 4Citation - Scopus: 5Mini-Review: "ball-Type Phthalocyanines": Similarities and Differences From Mono Phthalocyanines(Bentham Science Publishers, 2019) Göl, Emre Yusuf; Karabudak, EnginBall-type phthalocyanines are recently synthesized binuclear derivatives of the widely known phthalocyanine molecule. In the ball-type Pc molecule, two cofacially arranged Pc rings have four bridged substituents on the peripheral positions of benzenes. Due to their cofacially arranged phthalocyanine rings and, strong intramolecular and intermolecular interactions, ball-type phthalocyanines have different properties than their parent molecule and these structures have many potential application areas. This review describes three different synthesis methods of ball-type phthalocyanines; synthesis in the solvent, synthesis in solid, and synthesis under microwave irradiation. The synthesis that occurs in the shortest time with the highest yield is the synthesis in the solid phase. General differences between a ball-type phthalocyanine and a monophthalocyanine, such as differences in electronic spectra and effects of cofacial arrangement and central metal atoms, are also discussed. The shape of the Q-bands indicates the differences in electronic spectra. In ball-type Pcs, the Q-bands are broad and have poor resolution. Some potential applications, such as gas sensors, NLO devices, potential usage in photodynamic therapy and artificial photosynthesis of ball-type phthalocyanines are also mentioned. Ball-type Pcs can be used as a sensor for gases such as; CO2, CO, SO2, VOC. A novel water-soluble ball-type Pc may have potential application in PDT. Finally, we consider future prospects of these molecules.