Department of Chemistry, Dr. Babasaheb Ambedkar Marathwada University, Aurangabad, Maharashtra 431001, India
Adv. Mater. Lett., 2018, 9 (4), pp 275-283
DOI: 10.5185/amlett.2018.1457
Publication Date (Web): May 17, 2018
Copyright © IAAM-VBRI Press
E-mail: s_horaibi@yahoo.com
Squaraine dyes (SQ) have acquired sufficiently great attention as dye-sensitized solar cell (DSSCs) materials. In the present study, we have synthesized and characterized of two novel symmetrical sensitizers dyes for dye-sensitized solar cells which contain electron withdrawing (−COOH) group with long alkyl ester chain (SQ1) and another without encoring group (SQ2). We have investigated the structural, electronic, photo-electrochemical, and charge transport properties of two SQ1& SQ2 indole-based squaraine dyes. The ground state geometry has been computed by applying density functional theory (DFT). The excitation energy and the oscillator strength were calculated by using time-dependent (DFT-TD) at DFT/B3LYP/6-31G** level of theory. We have focused and study on the frontier molecular orbitals (HOMO and LUMO), electron injection (ΔGinject), light harvesting efficiency (LHE), open-circuit voltage (Voc), relative electron injection (ΔGrinject), and short-circuit current density (Jsc). The effect of-COOH as (acceptor) and -OCH3 (donor) groups on SQ1 and SQ2 were investigated. The factors affecting, ΔGinject, LHE, Voc and Jsc revealed that SQ1 would be more favourable to enhance the performance of DSSCs. The theoretical calculations and absorbance results show that the electron density of LUMO of SQ1 is delocalized in the whole chromophore, leading to strong electronic coupling between SQ1 and TiO2 surface. So, the SQ1 sensitized solar cells exhibit better photovoltaic performance.
Perspectives on Published Energy Sources and Smart Energy Supplies
State of Art Review on Nanobubbles
Eggshell Membrane Assisted CdS Nanoparticles for Manganese Removal in Water Treatment
Green Chemistry Synthesis of Nano-Hydroxyapatite using Natural Stabilisers
Structural, Optical and Electrical Properties of CaSnO3 and Ca0.98Nd0.02Sn0.98Ti0.02O3 Synthesized using Sol-Gel Method
Phase Change Materials Reinforced with Aluminium Foam for Latent Heat Storage
Influence of Manganese and Copper Doping on Structural and Optical Properties of Chromium Oxide Nanoparticles
Understanding of intriguing metal to semiconductor transition in Ni0.5Zn0.5Fe2O4 nanoparticulates
Flaw Resistance and Mode - I Fracture Energy Redistribution in Bamboo - A Correlation
COVID-19: A Significant Revival Approach - Concurrent Case Study in India
Recent Advances in Biochar Modification for Energy Storage in Supercapacitors: A Review
Viral Evolution of Multiple Coronavirus Genomes on Genomic Index Maps
Solution Combustion Synthesis and Energy Transfer in LaMgAl11O19:Tb3+/Sm3+ Tunable Phosphor
Influence of Fe3O4 and CTABr on the Rate of Degradation of Methylene Blue by H2O2
Effect of Sulfurization Temperature on RF Sputtered MoS2 Thin Film
Fatigue Analysis for Fe-34.5Mn-l0Al-0.76C Tidal Turbine Blades using Rainflow Algorithm
Modelling for the Study of Thermoelastic Properties of Nanoparticles
Potato Starch Edible Films as Environmentally Friendly Carriers for Model Drug: In vitro Release Study