Browsing Research Articles [MEWES] by Author "Costa, Rene"
Now showing items 1-4 of 4
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Betanidin isomerisation and decarboxylation, thermodynamic and charge transfer dye properties towards dye sensitised solar cells application
(John Wiley & Sons, Inc., 2021-01-25)Along with attractiveness of natural dyes for solar technologies, the instability is a well‐known drawback of the dyes, which impedes their usage for dye sensitised solar cells (DSSCs) application. The planar isomer appeared ... -
Effect of Electron Donor Groups on Optoelectronic Properties of Betalain Dyes: A DFT Study
(wiley, 2025-05)A sensitizer is a vital component of dye-sensitized solar cells(DSSCs); it absorbs incident photons, excites electrons, and facil-itates charge transfer to the semiconductor. In the present work,modification of betalain ... -
Enhancing the optoelectronic properties of blended triphenylamine-betalain based dyes through tailoring the anchoring unit: a theoretical investigation
(Taylor & Francis, 2024-11-25)A series triphenyl-betalain organic dyes featuring carboxylic acid and nitro anchoring groups CH = C(X)COOH for the A1-X dyes and -CH = C(X)NO2 for the A2-X dyes, respectively, where X = CN, CH3, CCl3 and CF3 was evaluated ... -
Structure and vibrational spectra of cluster ions over rubidium iodide by computational chemistry
(IEEE, 2015-03-05)The properties of Rb 2 I + , RbI 2 - , Rb 3 I 2 + and Rb 2 I 3 - ions were studied using two quantum chemical methods, DFT and Møller-Plesset perturbation theory of the 2 nd order. The effective core potential with Def2-QZVP ...
