Optical and photovoltaic properties of substituted alizarin dyes for dye-sensitized solar cells application

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dc.creatorAbubakari, Ismail
dc.creatorBabu, Numbury Surendra
dc.creatorVuai, Said
dc.creatorMakangara, John
dc.date2021-05-06T06:50:12Z
dc.date2021-05-06T06:50:12Z
dc.date2020
dc.date.accessioned2022-10-20T13:09:26Z
dc.date.available2022-10-20T13:09:26Z
dc.descriptionAbstract. Full text article available at https://doi.org/10.1080/15567036.2020.1836083
dc.descriptionThis paper presents the theoretical study on photovoltaic and absorption properties of alizarin derivatives. Optimization of structures and calculations were performed by density functional theory and time-dependent density functional theory using B3LYP hybrid functional and 6ā€“31 G (d,p) basis set. The dyes were formed by substituting 2-hexylthiophene mixed with carboxylic acid and 4-(benzo[c][1,2,5]thiadiazol-4-yl)benzoic acid. The performed substitution shows improvement in most of the properties. The highest occupied molecular orbital and lowest unoccupied molecular orbital energy levels of molecular dyes showed positive effect upon electron injection to semiconductor and subsequent regeneration by the electrolyte. Almost all necessary and important parameters to demonstrate the usefulness of molecular dyes as photo-sensitizers are detailed discussed. Based on the discussion and analysis, all considered molecules are proved to be useful in dye-sensitized solar cells using TiO2 semiconductor and Iāˆ’/Iāˆ’3 couple electrolyte. Collectively, dyes DY3 and DY2 showed better results than others with LHE and V oc of 0.2142 and 0.6722 eV, respectively, for DY3 and 0.7033 and 0.6224 eV, respectively, for DY2.
dc.identifierAbubakari, I., Babu, N. S., Vuai, S., & Makangara, J. (2020). Optical and photovoltaic properties of substituted alizarin dyes for dye-sensitized solar cells application. Energy Sources, Part A: Recovery, Utilization, and Environmental Effects, 42, 1-14.
dc.identifierDOI: 10.1080/15567036.2020.1836083
dc.identifierhttp://hdl.handle.net/20.500.12661/2957
dc.identifier.urihttp://hdl.handle.net/20.500.12661/2957
dc.languageen
dc.publisherTaylor & Francis
dc.subjectPhotovoltaic
dc.subjectAlizarin derivatives
dc.subjectSolar cells
dc.subjectDyes
dc.subjectDye-sensitized solar cells
dc.subjectAlizarin dyes
dc.subjectPhotovoltaic properties
dc.subjectDye solar cells
dc.subjectElectrolyte
dc.titleOptical and photovoltaic properties of substituted alizarin dyes for dye-sensitized solar cells application
dc.typeArticle

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