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

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dc.contributor.authorAbubakari, Ismail
dc.contributor.authorBabu, Numbury Surendra
dc.contributor.authorVuai, Said
dc.contributor.authorMakangara, John
dc.date.accessioned2021-05-06T06:50:12Z
dc.date.available2021-05-06T06:50:12Z
dc.date.issued2020
dc.descriptionAbstract. Full text article available at https://doi.org/10.1080/15567036.2020.1836083en_US
dc.description.abstractThis 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.en_US
dc.identifier.citationAbubakari, 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.en_US
dc.identifier.otherDOI: 10.1080/15567036.2020.1836083
dc.identifier.urihttp://hdl.handle.net/20.500.12661/2957
dc.language.isoenen_US
dc.publisherTaylor & Francisen_US
dc.subjectPhotovoltaicen_US
dc.subjectAlizarin derivativesen_US
dc.subjectSolar cellsen_US
dc.subjectDyesen_US
dc.subjectDye-sensitized solar cellsen_US
dc.subjectAlizarin dyesen_US
dc.subjectPhotovoltaic propertiesen_US
dc.subjectDye solar cellsen_US
dc.subjectElectrolyteen_US
dc.titleOptical and photovoltaic properties of substituted alizarin dyes for dye-sensitized solar cells applicationen_US
dc.typeArticleen_US
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