RT info:eu-repo/semantics/article T1 Cu(I)-I-2,4-diaminopyrimidine Coordination Polymers with Optoelectronic Properties as a Proof of Concept for Solar Cells A1 Hernández Rodríguez, Cecilio A1 López, Jesús A1 González Platas, Javier A1 Rodríguez Mendoza, Ulises Ruymán A1 José Ignacio Martínez A1 Delgado, Salomé A1 Lifante Pedrola, Ginés A1 Cantelar, Eugenio A1 Guerrero Lemus, Ricardo K1 Crystal structure, External quantum efficiency, Ligands, Materials, Quantum mechanics AB Two coordination polymers with formulas [CuI(dapym)]n and[Cu2I2(dapym)]n (dapym = 2,4-diaminopyrimidine) have been synthesized inwater at room temperature. According to the stoichiometry used, mono (1D)and the two-dimensional (2D) structures can be obtained. Both are made upof Cu2I2 double chains. Their high insolubility in the reaction medium alsomakes it possible to obtain them on a nanometric scale. Their structuralflexibility and short Cu−Cu distances provoke interesting optoelectronicproperties and respond to physical stimuli such as pressure and temperature,making them interesting for sensor applications. The experimental andtheoretical studies allow us to propose different emission mechanisms withdifferent behaviors despite containing the same organic ligand. Thesebehaviors are attributed to their structural differences. The emission spectraversus pressure and temperature suggest competencies between differenttransitions, founding critical Cu2I2 environments, i.e., symmetric in the 1D compound and asymmetric for the 2D one. The intensityin the 2D compound’s emission increases with decreasing temperature, and this behavior can be rationalized with a structuralconstriction that decreases the Cu−Cu and Cu−I distances. However, compound 1D exhibits a contrary behavior that may berelated to a change of the organic ligand’s molecular configuration. These changes imply that a more significant Π−Π interactioncounteracts the contraction in distances and angles when the temperature decreased. Also, the experimental conductivitymeasurements and theoretical calculations show a semiconductor behavior. The absorption of the 1D compound in UV, its intenseemission at room temperature, and the reduction to nanometric size have allowed us to combine it homogeneously with ethyl vinylacetate (EVA), creating a new composite material. The external quantum efficiency of this material in a Si photovoltaic mini-modulehas shown that this compound is an active species with application in solar cells since it can move the photons of the incidentradiation (UV region) to longer wavelengths. SN 0020-1669 YR 2021 FD 2021 LK http://riull.ull.es/xmlui/handle/915/34687 UL http://riull.ull.es/xmlui/handle/915/34687 LA en DS Repositorio institucional de la Universidad de La Laguna RD 17-jul-2024