A Solvation Model for Performance Enhancement of Dye-Sensitized Solar Cells
作者机构：Laboratoire des Matériaux Semi-Conducteurs et Métalliques(LMSM)Universitéde BiskraBiskraAlgeria Laboratoire des Semi-Conducteurs et Matériaux Fonctionnels(LSMF)UniversitéAmar Telidji de LaghouatLaghouatAlgérie Department of ChemistryQueen’s UniversityKingstonCanada Department of Engineering Physics and AstronomyQueen’s UniversityKingstonCanada
出 版 物：《Fluid Dynamics & Materials Processing》 (流体力学与材料加工（英文）)
年 卷 期：2022年第18卷第6期
页 面：1569-1579页
核心收录：
学科分类：081704[工学-应用化学] 07[理学] 08[工学] 0817[工学-化学工程与技术] 070303[理学-有机化学] 0703[理学-化学] 0702[理学-物理学]
基 金：Financial support for this work by the Natural Sciences and Engineering Research Council of Canada(NSERC) Grant No.RGPIN-2020-07016 Canada’s Federal Funding Agency for University-Based Research and Student Training is acknowledged
主 题：Mc-540-based dye DFT method electron injection n-DSSCs
摘 要：A solubility model for Merocyanine-540 dye together with the interface’s electron transfer kinetics of MC-540/TiO2 has been investigated(Merocyanine 540-based dye has been used effectively in dye-sensitized solar cells).The highest absorption peaks were recorded at 489 nm and 493 nm in Water and Ethanol solvent,*** vacuum phase which yielded 495 nm(associated with a modest electron injection-free energy value(Ginj)of−2.34 eV for both Water and Ethanol solvents).The time-dependent density functional theory(TD-DFT)method approach has been applied in this ***,the electronic structure and simulated UV-Vis spectra of the dye in different solvents have been determined,and the alignment with the solar spectrum has been discussed to a certain *** energy level diagrams and electron density of the primary molecular orbitals are shown,and the major issues that have an impact on our new interface’s performance are *** is concluded that the proposed Solvation Model(SM)can improve the performance of Dye-Sensitized Solar Cells.
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