Person: García Benito, Inés
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First Name
Inés
Last Name
García Benito
Affiliation
Universidad Complutense de Madrid
Faculty / Institute
Ciencias Químicas
Department
Química Orgánica
Area
Identifiers
7 results
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Now showing 1 - 7 of 7
Item Diarylamino-substituted Tetraarylethene (TAE) as Efficient and Robust Hole Transport Material for 11% Methyl Ammonium Lead Iodide Perovskite Solar Cells.(Chemical Communications, 2015) Cabau, Lydia; García Benito, Inés; Molina Ontoria, Agustín; Martín, Nazario; Montcada, Nuria F.; Vidal Ferran, Anton; Palomares, EmilioWe report the synthesis and characterisation of tetra{4-[N,N-(4,4′-dimethoxydiphenylamino)]phenyl}ethene (TAE-1) as an efficient and robust hole transport material for its application in methyl ammonium lead iodide (MAPI) perovskite solar cells. The solar cells show light-to-energy conversion efficiencies as high as 11.0% under standard measurement conditions without the need of additional dopants.Item Analysis of the Hysteresis Behavior of Perovskite Solar Cells with Interfacial Fullerene Self-Assembled Monolayers(Journal of physical chemistry letters, 2016) Valles Pelarda, Marta; Clasen Hames, Bruno; García Benito, Inés; Almora, Osbel; Molina Ontoria, Agustín; Sánchez, Rafael S.; García Belmonte, Germà; Martín, Nazario; Mora Sero, IvánThe use of self-assembled monolayers (SAMs) of fullerene derivatives reduces the hysteresis of perovskite solar cells (PSCs). We have investigated three different fullerene derivatives observing a decrease on hysteresis for all the cases. Several processes can contribute to the hysteresis behavior on PSCs. We have determined that the reduced hysteresis observed for devices with SAMs is produced by a decrease of the capacitive hysteresis. In addition, with an appropriated functionalization, SAMs can increase photocurrent even when no electron selective contact (ESC) is present and a SAM is deposited just on top of the transparent conductive oxide. Appropriated functionalization of the fullerene derivative, as introducing −CN groups, can enhance cell performance and reduce hysteresis. This work paves the way for a future enhancement of PSCs by a tailored design of the fullerene molecules that could actuate as an ESC by themselves.Item Ingeniería molecular de materiales transportadores de huecos o electrones para células solares de perovskita(2017) García Benito, Inés; Martín León, Nazario; Molina Ontoria, Agustín; Delgado de la Cruz, Juan LuisEl desarrollo de alternativas limpias para remplazar las tecnologías actuales basadas en combustibles fósiles es de crucial importancia. Dentro de las tecnologías fotovoltaicas emergentes, las células solares basadas en perovskita (PSCs) han alcanzado eficiencias prometedoras. Objetivos Diseño, síntesis y caracterización de nuevos materiales transportadores de huecos (HTMs) con el fin de mejorar el rendimiento de PSCs. Estudio de la aplicación de una serie de derivados de C60 con diferente funcionalización química y energía del LUMO como materiales transportadores de electrones (ETMs) en PSCs invertidas. i) HTMs basados en tetraarileteno (TAE) y bifluorenilideno (BF) Nuevas moléculas basadas en TAE y BF como unidad central han sido diseñadas uniendo covalentemente diferentes fragmentos dadores de electrones. Son extremadamente baratos y de fácil preparación y han sido extensamente caracterizados, mostraron características prometedoras en PSCs. ii) HTMs basados en benzotritiofeno (BTT) y libres de azufre Se han sintetizado BTT1, BTT2 y BTT3, los cuales fueron obtenidos de manera satisfactoria a través de la unión del fragmento central BTT con diferentes unidades basadas en difenilamina. Alcanzaron valores de eficiencia (valores siempre en porcentaje) entre el 16 y el 18 en dispositivos basados en MAPbI3 y (FAPbI3)0.85(MAPbBr3)0.15. El efecto de la isomería, derivada de la posición de los átomos de azufre en el fragmento central, ha sido estudiado en las propiedades de BTT4 y BTT5. Valores extraordinarios de eficiencia del 19.0 y 18.2 han sido alcanzados como HTMs en células solares basadas en (FAPbI3)0.85(MAPbBr3)0.15. Se sintetizaron dos nuevas isoestructuras, con pirroles o anillos de furano fusionados a un anillo central de benzeno, BTP y BTF, respectivamente. Los extraordinarios valores de eficiencia alcanzados, son comparables a los obtenidos con spiroOMeTAD o BTT-3. iii) HTMs basados en tieno[3,2 b]tiofeno (TbT) Se empleó tienotiofeno como fragmento central en tres nuevos HTMs, unido covalentemente a unidades de p metoxidifenilamina a través de diferentes grupos espaciadores. Se obtuvieron valores de eficiencia de hasta 18.4 con TbT3 sin apenas histéresis. iv) C60 funcionalizados con ácido benzoico Derivados de C60, adecuadamente funcionalizados con ácido carboxílico fueron sintetizados. Concretamente, tres derivados de C60 fueron incorporados como interface en PSCs en forma de monocapa autoensamblada. En todos los casos, se observó una disminución en la histéresis. v) Diseño y síntesis de ThCBM ThCBM y ThCBM6 mostraron un comportamiento en dispositivos invertidos basados en perovskita similares a estudiado PCBM. Se presenta la síntesis del bisaducto de C60 que combina los fragmentos característicos del DPM6 y PCBM. Conclusiones El diseño de nuevos HTMs de bajo coste y fácil preparación ha permitido el estudio de la influencia de diferentes unidades dadoras de electrones, isomerización e incorporación de heteroátomos en el fragmento central para diseñar a la carta HTMs con propiedades moleculares favorables para su utilización en dispositivos fotovoltaicos basados en perovskita. De forma adicional, se ha realizado una estimación de su coste de preparación a escala de laboratorio, en torno a 50-80 US$ por gramo, muy competitivo en comparación con otros HTMs ya comercialmente disponibles. Estos costes de preparación, junto con los altos valores de eficiencia alcanzados en dispositivos fotovoltaicos, validan el potencial de los nuevos HTMs presentados en esta tesis, compitiendo favorablemente con spiroOMeTAD, en el mercado de las células solares basadas en pervoskita. Actualmente existe una solicitud de patente internacional pendiente de resolución final. Además, la preparación de los derivados de C60 presentados en esta tesis, ha permitido una notable mejora en dispositivos fotovoltaicos de configuración invertida.Item Benzotrithiophene-Based Hole-Transporting Materials for 18.2% Perovskite Solar Cells(Angewandte Chemie, 2016) Molina Ontoria, Agustín; Zimmermann, Iwan; García Benito, Inés; Gratia, Paul; Roldán Carmona, Cristina; Aghazada, Sadig; Graetzel, Michael; Khaja Nazeeruddin, Mohammad; Martín León, NazarioNew star-shaped benzotrithiophene (BTT)-based hole-transporting materials (HTM) BTT-1, BTT-2 and BTT-3 have been obtained through a facile synthetic route by crosslinking triarylamine-based donor groups with a benzotrithiophene (BTT) core. The BTT HTMs were tested on solution-processed lead trihalide perovskite-based solar cells.Power conversion efficiencies in the range of 16% to 18.2% were achieved under AM 1.5 sun with the three derivatives. These values are comparable to those obtained with todays most commonly used HTM spiro-OMeTAD, which point them out as promising candidates to be used as readily available and cost-effective alternatives in perovskite solar cells (PSCs).Item Influence of alkyl chain length on the photovoltaic properties of dithienopyran-based hole-transporting materials for perovskite solar cells(Journal of Materials Chemistry C, 2023) Caicedo Reina, Mauricio; Pérez Escribano, Manuel; Urieta Mora, Javier; García Benito, Inés; Calbo, Joaquín; Ortiz, Alejandro; Insuasty, Braulio; Molina Ontoria, Agustín; Ortí, Enrique; Nazario Martín; Martín León, NazarioA tailored design of asymmetric hole-transporting materials (HTMs) is reported with the synthesis of a family of new HTMs based on the use of the 5H-dithieno[3,2-b:20 ,30 -d]pyran (DTP) moiety endowed with donor p-methoxytriphenylamines. A complete experimental and theoretical characterization of the optoelectronic, electrochemical and thermal properties is presented, showing more marked differences in the latter prompted by the different length of the alkyl chains (ethyl, butyl or hexyl) attached to the DTP core. This chemical design plays an important role in the morphological behavior of the new HTMs, displaying a different ability for the deposition on the top surface of the perovskite layer in perovskite solar cells (PSCs), as evidenced by scanning electron microscopy. The photovoltaic performance of the new DTP-based HTMs is highly affected by this morphological behavior, resulting in a maximum power conversion efficiency (PCE) of 17.39% for the ethyl derivative (DTPA-Et) in planar devices in combination with the state-of-the-art triple cation perovskite [(FAPbI3)0.87(MAPbBr3)0.13]0.92[CsPbI3]0.08. Otherwise, the hexyl derivative (DTPA-Hex) showed a decreased value of PCE of 15.04% due to its higher dispersity in chlorobenzene, resulting in a less uniform and lower quality film. In comparison, the reference cell using spiro-OMeTAD reaches a maximum PCE of 18.06%. This work demonstrates that DTP is a good candidate for the preparation of HTMs with high hole mobilities for exploitation in efficient and stable PSCs.Item Hole-Transporting Materials for Perovskite Solar Cells Employing an Anthradithiophene Core(ACS Applied Materials & Interfaces, 2021) Santos Barahona, José Manuel; Calbo, Joaquín; Sandoval-Torrientes, Rafael; García Benito, Inés; Kanda, Hiroyuki; Zimmermann, Iwan; Aragó, Juan; Nazeeruddin, Mohammad Khaja; Ortí, Enrique; Martín León, NazarioA decade after the report of the first efficient perovskite-based solar cell, development of novel hole-transporting materials (HTMs) is still one of the main topics in this research field. Two of the main advance vectors of this topic lie in obtaining materials with enhanced hole-extracting capability and in easing their synthetic cost. The use of anthra[1,9-bc:5,10-b′c′]dithiophene (ADT) as a flat π-conjugated frame for bearing arylamine electroactive moieties allows obtaining two novel highly efficient HTMs from very cheap precursors. The solar cells fabricated making use of the mixed composition (FAPbI3)0.85(MAPbBr3)0.15 perovskite and the novel ADT-based HTMs show power conversion efficiencies up to 17.6% under 1 sun illumination compared to the 18.1% observed when using the benchmark compound 2,2′,7,7′-tetrakis(N,N-di-p-methoxyphenylamine)-9,9′-spirobifluorene (spiro-OMeTAD). Detailed density functional theory calculations allow rationalization of the observed opto-electrochemical properties and predict a flat molecular structure with a low reorganization energy that supports the high conductivity measured for the best-performing HTM.Item Surface‐Assisted Synthesis of N‐Containing π‐Conjugated Polymers(Advanced Science, 2022) Sánchez-Grande, Ana; Urgel, José ; García Benito, Inés; Santos Barahona, José Manuel; Biswas, Kalyan; Lauwaet, Koen; Gallego, José M.; Rosen, Johanna; Miranda, Rodolfo; Björk, Jonas; Martín León, Nazario; Écija, DavidOn‐surface synthesis has recently emerged as a powerful strategy to design conjugated polymers previously precluded in conventional solution chemistry. Here, an N‐containing pentacene‐based precursor (tetraazapentacene) is ex‐professo synthesized endowed with terminal dibromomethylene (:CBr2) groups to steer homocoupling via dehalogenation on metallic supports. Combined scanning probe microscopy investigations complemented by theoretical calculations reveal how the substrate selection drives different reaction mechanisms. On Ag(111) the dissociation of bromine atoms at room temperature triggers the homocoupling of tetraazapentacene units together with the binding of silver adatoms to the nitrogen atoms of the monomers giving rise to a N‐containing conjugated coordination polymer (P1). Subsequently, P1undergoes ladderization at 200 °C, affording a pyrrolopyrrole‐bridged conjugated polymer (P2). On Au(111) the formation of the intermediate polymer P1 is not observed and, instead, after annealing at 100 °C, the conjugated ladder polymer P2 is obtained, revealing the crucial role of metal adatoms on Ag(111) as compared to Au(111). Finally, on Ag(100) the loss of :CBr2 groups affords the formation of tetraazapentacene monomers, which coexist with polymer P1. Our results contribute to introduce protocols for the synthesis of N‐containing conjugated polymers, illustrating the selective role of the metallic support in the underlying reaction mechanisms.