000170117 001__ 170117
000170117 005__ 20260318155255.0
000170117 0247_ $$2doi$$a10.1016/j.jelechem.2025.119686
000170117 0248_ $$2sideral$$a148658
000170117 037__ $$aART-2025-148658
000170117 041__ $$aeng
000170117 100__ $$0(orcid)0000-0001-9690-9662$$aDuerto, Isolda
000170117 245__ $$aOptimizing electron injection in D-A'-π-a dye sensitized solar cells: The role of electrolyte modification
000170117 260__ $$c2025
000170117 5060_ $$aAccess copy available to the general public$$fUnrestricted
000170117 5203_ $$aThis study establishes a theoretical and technical pathway, based on electroanalytical methods, for an optimized design of DSSCs with balanced short-circuit current density (Jsc) and open-circuit voltage parameters (Voc). In this paper, isoindigo (iI) and benzothiadiazole (BTZ) are included as auxiliary acceptors in A-iI-Ph-SIL and A-BTZ-Ph-SIL dyes, respectively. The strength of auxiliary acceptors greatly influences the thermodynamic parameters governing the electron transfer process, as well as the proper distribution of electron density in orbitals. Theoretical calculations reveal that the isoindigo unit, in A-iI-Ph-SIL, exhibits a strong acceptor character that hinders charge transfer from the donor to the primary acceptor. However, in the A-BTZ-Ph-SIL, the moderate acceptor character of the benzothiadiazole unit allows charge movement across the molecule. Voltammetric analyses indicate that, in A-iI-Ph-SIL, the electron injection into the semiconductor is compromised because its excited state energy level is too close to the TiO2 conduction band edge. This fact limits the necessary driving force for efficient injection process. To overcome this, the influence of the iodide/triiodide electrolyte composition on the electrochemical properties is explored. A concentration of 0.1 M tert-butylpyridine yields the optimal efficiency in these devices. This particular concentration strikes the right balance between Jsc and Voc. Notably, this optimized concentration led to a significant 44 % improvement in DSSC efficiency compared to the conventional 0.5 M tert-butylpyridine concentration, achieving a maximum efficiency of 4.79 %. Electrochemical Impedance Spectroscopy indicates that better conversion efficiencies of the devices are linked to a high charge transfer resistance at the TiO₂/solvent interface.
000170117 536__ $$9info:eu-repo/grantAgreement/ES/DGA/E47-23R$$9info:eu-repo/grantAgreement/ES/MICINN/CEX2023-001286-S$$9info:eu-repo/grantAgreement/ES/MICINN/PID2019-104307GB-I00-AEI-10.13039-501100011033$$9info:eu-repo/grantAgreement/ES/UZ/UZ2023-CIE-01
000170117 540__ $$9info:eu-repo/semantics/openAccess$$aby-nc-nd$$uhttps://creativecommons.org/licenses/by-nc-nd/4.0/deed.es
000170117 655_4 $$ainfo:eu-repo/semantics/article$$vinfo:eu-repo/semantics/publishedVersion
000170117 700__ $$0(orcid)0000-0003-3514-2570$$aOrduna, Jesús
000170117 700__ $$0(orcid)0000-0001-9814-0834$$aVillacampa, Belén$$uUniversidad de Zaragoza
000170117 700__ $$0(orcid)0000-0001-7193-1732$$aBlesa, María-Jesús$$uUniversidad de Zaragoza
000170117 7102_ $$12013$$2765$$aUniversidad de Zaragoza$$bDpto. Química Orgánica$$cÁrea Química Orgánica
000170117 7102_ $$12003$$2395$$aUniversidad de Zaragoza$$bDpto. Física Materia Condensa.$$cÁrea Física Materia Condensada
000170117 773__ $$g1001 (2025), 119686 [11 pp.]$$pJ. electroanal. chem.$$tJOURNAL OF ELECTROANALYTICAL CHEMISTRY$$x1572-6657
000170117 8564_ $$s4969252$$uhttps://zaguan.unizar.es/record/170117/files/texto_completo.pdf$$yVersión publicada
000170117 8564_ $$s2542329$$uhttps://zaguan.unizar.es/record/170117/files/texto_completo.jpg?subformat=icon$$xicon$$yVersión publicada
000170117 909CO $$ooai:zaguan.unizar.es:170117$$particulos$$pdriver
000170117 951__ $$a2026-03-18-13:52:39
000170117 980__ $$aARTICLE