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Establishing viable solid-state synthesis pathways for novel inorganic materials remains a major challenge in materials science. Previous pathway design methods using pair-wise reaction approaches have navigated the thermodynamic landscape…
New computational tools for solid-state synthesis recipe design are needed in order to accelerate the experimental realization of novel functional materials proposed by high-throughput materials discovery workflows. This work contributes a…
Efficient synthesis recipes are needed both to streamline the manufacturing of complex materials and to accelerate the realization of theoretically predicted materials. Oftentimes the solid-state synthesis of multicomponent oxides is…
Magneto-optical imaging and magnetization measurements were applied to investigate local formation of superconducting phase effected by a random neck synthesis in Y-Ba-Cu-O system. Polished pellets of strongly inhomogeneous ceramic samples…
It is known that solid-state reaction in high-pressure oxygen can stabilize high-oxidation phases of Y-Ba-Cu-O superconductors in powder form. We extend this superoxygenation concept of synthesis to thin films which, due to their large…
The one-pot method focuses on the reduction of the number of steps or chemical reactions in the synthesis of materials, and it is very appealing in terms of sustainability. In addition to this point of view, superconductors are desired…
A two step solid state reaction route has been presented to synthesize monophasic cobalt tellurate (Co3TeO6, CTO) using Co3O4 and TeO2 as starting reagents. During synthesis, initial ingredient Co3O4 is found better than CoO in…
BaZrO3 is by far the most inert crucible material that has been used for melt processing of high quality single crystal YBCO superconductors. To overcome the processing difficulties of existing solid-state methods, solution processing…
In the YBa2Cu3O7-{\delta} (YBCO) high temperature superconducting thin film fabrication via the chemical solution deposition method, BaF2 is an important intermediate phase during heat treatment. In this paper, BaF2 thermodynamics stability…
The decomposition kinetics of a solid-solution into separate phases are analyzed with an equation of motion initially developed to account for dissipative processes in quantum systems. This equation and the steepest-entropy-ascent quantum…
The temperature dependence of the relaxation dynamics in the bilayer thin film heterostructure composed of multiferroic BiFeO$_{3}$ (BFO) and superconducting YBa$_{2}$Cu$_{3}$O$_{7}$ (YBCO) grown on a (001) SrTiO$_{3}$ substrate is studied…
A single-sample synthesis concept based on multi-element ceramic samples can produce a variety of local products. When applied to cuprate superconductors (SC), statistical modelling predicts the occurrence of possible compounds in a…
Bulk superconductor samples of YBa2Cu3-xCoxO7-{\delta} with x = 0, 0.01, 0.03, 0.05 are synthesized by solid-state reaction route. Both x-ray diffraction and electron microscopy have been employed to study the phase identification,…
Temperature-induced phase transition in BaTiO3 has been explored using the machine learning analysis of domain morphologies visualized via variable-temperature scanning transmission electron microscopy (STEM) imaging data. This approach is…
This work examines the oxygenation process of polycrystalline powder of YBa$_2$Cu$_3$O$_{6+\delta}$ superconductor material through constant temperature thermogravimetric analysis. Starting from completely deoxygenated samples ($\delta$ =…
Metastable polymorphs often result from the interplay between thermodynamics and kinetics. Despite advances in predictive synthesis for solution-based techniques, there remains a lack of methods to design solid-state reactions targeting…
Understanding the gypsum (CaSO4.2H2O) formation pathway from aqueous solution has been the subject of intensive research in the past years. This interest stems from the fact that gypsum appears to fall into a broader category of crystalline…
We present a first-principles based multiscale modeling approach to heterogeneous catalysis that integrates first-principles kinetic Monte Carlo simulations of the surface reaction chemistry into a fluid dynamical treatment of the…
Synthesis remains a challenge for advancing materials science. A key focus of this challenge is how to enable selective synthesis, particularly as it pertains to metastable materials. This perspective addresses the question: how can…
We report on a novel material obtained by modifying pristine YBCO superconductor in solid phase synthesis via simultaneous partial substitution of Ba by Sr and O by Se. Simultaneous application of EDX and EBSD confirmed that Se atoms indeed…