Search results for "Perovskite"
showing 10 items of 458 documents
Defects in yttrium aluminium perovskite and garnet crystals: atomistic study
2000
Native and impurity point defects in both yttrium aluminium perovskite (YAP) and garnet (YAG) crystals are studied in the framework of the pair-potential approximation coupled with the shell model description of the lattice ions. The calculated formation energies for native defects suggest that the antisite disorder is preferred over the Frenkel and Schottky-like disorder in both YAP and YAG. The calculated values of the distortion caused by the antisite YAl x in the lattice turn out to be in an excellent agreement with the EXAFS measurements. In non-stoichiometric compounds, the calculated reaction energies indicate that excess Y2 O3 or Al2 O3 is most likely to be accommodated by the forma…
Perovskite Light-Emitting Devices - Fundamentals and Working Principles
2018
Working Principles of Perovskite Solar Cells
2018
Influence of hole transport material ionization energy on the performance of perovskite solar cells
2019
Halide perovskites have shown excellent photophysical properties for solar cell applications which led to a rapid increase of the device efficiency. Understanding the charge carrier dynamics within the active perovskite absorber and at its interfaces will be key to further progress in their development. Here we present a series of fully evaporated devices employing hole transport materials with different ionization energies. The open circuit voltage of the devices, along with their ideality factors, confirm that the former is mainly determined by the bulk and surface recombination in the perovskite, rather than by the energetic offset between the valence band of the perovskite and the highe…
Hybrid DFT calculations of the atomic and electronic structure for ABO3 perovskite (001) surfaces
2005
Abstract We present the results of first-principles calculations on two possible terminations of the (0 0 1) surfaces of SrTiO3, BaTiO3, and PbTiO3 perovskite crystals. Atomic structure and the electronic configurations were calculated for different 2D slabs, both stoichiometric and non-stoichiometric, using hybrid (B3PW) exchange-correlation technique and re-optimized basis sets of atomic (Gaussian) orbitals. Results are compared with previous calculations and available experimental data. The electronic density distribution near the surface and covalency effects are discussed in details for all three perovskites. Both SrTiO3 and BaTiO3 (0 0 1) surfaces demonstrate reduction of the optical …
Magnetic susceptibility of multiferroics and chemical ordering
2017
Magnetic susceptibility of two types of perovskite compounds A(Fe0.5M0.5)O3 A=Ba,Sr with M=Nb and Sb differing in the degree of chemical ordering was studied between 2 and 380 K. In the low temperature region, these compounds exhibit antiferromagnetic and spin-glass transition at T = 16−30 K. For the ordered compounds (M = Sb) the inverse susceptibility depends on T linearly up to the highest temperatures used. This enables the determination of the Weiss temperature θ and effective moment of the Fe3+ ion expressed by a number of Bohr magnetons, peff. In contrast to it, the compounds with M = Nb are characterized by a higher degree of the glassines and by a concave character of the inverse s…
Vacuum Processed Narrow and Wide Bandgap Perovskites for Photovoltaic Applications
2021
El objetivo principal de la presente tesis fue el desarrollo de nuevos materiales que sirvan de ayuda en la actual emergencia climática. De este modo, se prepararon perovskitas de banda prohibida estrecha y ancha con la intención de integrarlas en tándems, que pueden aprovechar todo el espectro solar para generar energía, en el futuro. Las perovskitas fueron preparadas mediante la técnica de sublimación, o deposición a vacío. Además, se emplearon otras técnicas que no requieren del uso de disolventes, como la mecanoquímica. A lo largo de la tesis se preparan dos perovskitas de banda prohibida estrecha, siendo una de ellas la primera perovskita basada en plomo y estaño sintetizada mediante s…
Disorder-induced Raman scattering in rhenium trioxide (ReO3)
2007
Raman scattering in cubic metallic perovskite (ReO3) was studied at room temperature for well-crystallized monolith, polycrystalline powder and thin film samples. Defect-induced first-order Raman scattering was detected from the sub-surface region, given by the penetration depth of a 633 nm laser, and its origin was explained on the basis of a rigid-ion vibrational model for bulk ReO3. A quenching of the Raman intensity was observed in crystalline monolithic ReO3 upon increasing the temperature up to 250 °C and was related to crystal surface reconstruction/annealing.
Interfacial Modification for High-Efficiency Vapor-Phase-Deposited Perovskite Solar Cells Based on a Metal Oxide Buffer Layer.
2018
Vacuum deposition is one of the most technologically relevant techniques for the fabrication of perovskite solar cells. The most efficient vacuum-based devices rely on doped organic contacts, compromising the long-term stability of the system. Here, we introduce an inorganic electron-transporting material to obtain power conversion efficiencies matching the best performing vacuum-deposited devices, with open-circuit potential close to the thermodynamic limit. We analyze the leakage current reduction and the interfacial recombination improvement upon use of a thin (<10 nm) interlayer of C60, as well as a more favorable band alignment after a bias/ultraviolet light activation process. This wo…