Prediction of Power Conversion Efficiencies of Diphenylthienylamine-Based Dyes Adsorbed on the Titanium Dioxide Nanotube
Ohoud S. Al−Qurashi, Nuha Wazzan
Abstract
), power conversion efficiency (%η), respectively. More importantly, the results revealed that using pyridine (DP2-D1), pyrimidine (DP2-D2), and 1,2,4-triazine (DP2-D3) improves the power conversion efficiencies in the range of 6.03 to 6.90%. However, the cyclopenta-1,3-diene (DP1-D0) shows superior performance with a predicted η value that reaches 9.55%.
Topics & Concepts
Titanium dioxideEnergy conversion efficiencyDye-sensitized solar cellDensity functional theoryMaterials scienceAdsorptionPower densityComputational chemistryNanotechnologyChemistryOptoelectronicsPower (physics)Physical chemistryThermodynamicsComposite materialElectrolyteElectrodePhysicsTiO2 Photocatalysis and Solar CellsAdvanced Photocatalysis TechniquesConducting polymers and applications