Perovskite Nd0 Research Articles

A new highly active and CO2-stable heterostructure cathode material for solid oxide fuel cells developed from bismuth ion-modified cation-deficient Nd0.9BaCo2O5+δ

Efficient oxygen reduction kinetics as well as excellent stability are the main goals of current electrode materials for solid oxide fuel cells (SOFCs). Here, we present the latest findings regarding the augmentation of performance in SOFC through utilization of a novel heterogeneous cathode, consisting of an excess cation-deficient double perovskite Nd0.9BaCo2O5+δ (NBC90) backbone and in situ exsolved BaCo1-yBiyO3-x nanoparticles modified by bismuth (NBC90+B). The anisotropic growth of such self-assembled nanoparticles and the formation of multiple heterointerfaces exhibit an extremely strong activation effect. The in situ formed BaCo1-yBiyO3-x nanoparticles and cation-deficient NBC90 parental perovskite significantly enhance the catalytic activity and durability of the cathode toward oxygen reduction. The structural stability and CO2 tolerance of the cathode are greatly enhanced, which is attributed to the penetration of the high acidic Bi ions in the separated phase and the synergistic effect of the two-phase interface. The results unequivocally demonstrate the exceptional stability and efficiency of the NBC90+B composite as a promising cathode candidate for SOFCs.

Robust Superconductivity in Infinite-Layer Nickelates.

The recent discovery of nickelate superconductivity represents an important step toward understanding the four-decade mastery of unconventional high-temperature superconductivity. However, the synthesis of the infinite-layer nickelate superconductors shows great challenges. Particularly, surface capping layers are usually unitized to facilitate the sample synthesis. This leads to an important question whether nickelate superconductors with d9 configuration and ultralow valence of Ni1+ are in metastable state and whether nickelate superconductivity can be robust? In this work, a series of redox cycling experiments are performed across the phase transition between perovskite Nd0.8Sr0.2NiO3 and infinite-layer Nd0.8Sr0.2NiO2. The infinite-layer Nd0.8Sr0.2NiO2 is quite robust in the redox environment and can survive the cycling experiments with unchanged crystallographic quality. However, as the cycling number goes on, the perovskite Nd0.8Sr0.2NiO3 shows structural degradation, suggesting stability of nickelate superconductivity is not restricted by the ultralow valence of Ni1+, but by the quality of its perovskite precursor. The observed robustness of infinite-layer Nd0.8Sr0.2NiO2 up to ten redox cycles further indicates that if an ideal high-quality perovskite precursor can be obtained, infinite-layer nickelate superconductivity can be very stable and sustainable under environmental conditions. This work provides important implications for potential device applications for nickelate superconductors.

Insights into structural, electronic, optical properties, and impedance spectroscopy of semi-doped perovskite Nd0.5Ba0.5CoO3: A theoretical and experimental study

In this study, the electronic, structural, and optical properties of semi-doped perovskite Nd0.5Ba0.5CoO3 (NBCO) were investigate using the CASTEP software, which relies on density functional theory (DFT) along with the correlation function of generalized gradient approximation (GGA) and Perdew-Burke-Ernzerhof (PBE). The mesh parameters of the (super) cell indicate that NBCO adopts an orthorhombic structure in the Pmmm space group, featuring a Coulomb Energy (EC) of approximately −244 eV. DFT and total density of states (DOS) analyses reveal that the as-prepared perovskite manifests metallic characteristics, and a notable covalent interaction is observed between the O-p and Co-d spin states, indicating strong hybridization between these orbitals. Remarkably, NBCO demonstrates 100 % spin polarization (P) at the Fermi level, with a calculated total magnetic moment of approximately 3.44 μB. Moreover, low dielectric loss (tgδ) values suggest facile electron movement, and impedance spectroscopy illustrates a dielectric relaxation phenomenon. DFT calculations predict an orthorhombic crystal structure with higher electron density at cobalt atom positions. Band structure and DOS analyses affirm metallic behavior owing to the robust hybridization between oxygen-p and cobalt-d orbitals. Optical property assessments reveal potential applications in spintronics and optoelectronics, with notable absorption in the ultraviolet–visible range. The conductivity spectra from impedance spectroscopy contribute to understanding temperature-dependent charge transport mechanisms. Dielectric constants decrease with increasing frequency and temperature, while dielectric losses remain low, indicating efficient electron movement. The material adheres to a metallic conduction mechanism as described by Drude's law, and the material's 100 % spin polarization at the Fermi level and a total magnetic moment of 3.44 μB are significant findings. Negative dielectric constants observed at specific frequencies suggest potential applications in metamaterials. Overall, the determined properties position NBCO cobaltite as a promising candidate for high-frequency devices, spintronic components, and sensors.

Optimized fabrication of high-quality Nd0.8Sr0.2NiO2 superconducting films by pulsed laser deposition

The discovery of superconductivity in the infinite-layer nickelates has motivated tremendous efforts for its’ significance toward the understanding of superconductivity. However, the synthesis of infinite-layer nickelates is instable and has become a holdback to experimental progress. According to systematic growth with variable conditions, our study suggests that the synthesis of the precursor perovskite Nd0.8Sr0.2NiO3 phase is very crucial for the whole experimental progress, whereas the topotactic reduction has a relative wide window of reduction condition. What is more, the laser fluence is found to be the most critical parameter to produce high quality of precursor perovskite Nd0.8Sr0.2NiO3 phase. In contrast, high quality of Nd0.8Sr0.2NiO3 phase can be achieved with large range of growth temperature and oxygen partial pressure.

Study of critical magnetic behavior around the ferromagnetic–paramagnetic phase transition of the half-doped perovskite Nd0.5Ba0.5CoO3

Study of critical magnetic behavior around the ferromagnetic–paramagnetic phase transition of the half-doped perovskite Nd0.5Ba0.5CoO3

Synthesis, structural and magnetic behavior and theoretical approach to study the magnetic and magnetocaloric properties of the half-doped perovskite Nd0.5Ba0.5CoO3

Synthesis, structural and magnetic behavior and theoretical approach to study the magnetic and magnetocaloric properties of the half-doped perovskite Nd0.5Ba0.5CoO3

Aspects of the synthesis of thin film superconducting infinite-layer nickelates

The recent observation of superconductivity in Nd0.8Sr0.2NiO2 calls for further investigation and optimization of the synthesis of this infinite-layer nickelate structure. Here, we present our current understanding of important aspects of the growth of the parent perovskite compound via pulsed laser deposition on SrTiO3 (001) substrates and the subsequent topotactic reduction. We find that to achieve single-crystalline, single-phase superconducting Nd0.8Sr0.2NiO2, it is essential that the precursor perovskite Nd0.8Sr0.2NiO3 thin film is stabilized with no visible impurity phases; in particular, a Ruddlesden–Popper-type secondary phase is often observed. We have further investigated the evolution of the soft-chemistry topotactic reduction conditions to realize full transformation to the infinite-layer structure with no film decomposition or formation of other phases. We find that capping the nickelate film with a subsequent SrTiO3 layer provides an epitaxial template to the top region of the nickelate film, much like the substrate. Thus, for currently optimized growth conditions, we can stabilize superconducting single-phase Nd0.8Sr0.2NiO2 (001) epitaxial thin films up to ∼10 nm.

Influence of the size of the interpolated cation upon the CMR properties of the perovskites Nd0.7Ca0.3−xSrxMnO3−δ

The systematic study of the manganese perovskite Nd0.7Ca0.3−xSrxMnO3−δ has allowed colossal magnetoresistance effects (CMR) with resistance ratios (RR), RB=0/RB=5T, up to 104 at 60 K in a field of 5 tesla to be evidenced. The influence of the mean size of the interpolated cation (Nd, Ca, Sr), on the magnitude of the RR ratios, has been demonstrated for the first time: RR goes through a maximum for a particular value of the mean radius of the interpolated cation. This effect seems to be correlated with the evolution of the cell volume that exhibits a singular point around x=0.085. A second important feature deals with the irreversibility of the CMR effect at low temperature that decreases as T increases and disappears at Tmax. It is also remarkable that for ρ(T) curves characterized by a maximum, Tmax not only increases as the size of the interpolated cation increases, but also as the magnitude of the applied magnetic field increases.