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Center-environment deep transfer machine learning across crystal structures: from spinel oxides to perovskite oxides
In data-driven materials design where the target materials have limited data, the transfer machine learning from large known source materials,...
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Advanced DFT Atomistic Approaches for Electronic, Optical, and Structural Properties of Semiconductor Oxides
The Density Functional Theory (DFT) has been growing on a large scale since the last few years on Quantum simulations applied to materials, mainly...
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Defect spinel oxides for electrocatalytic reduction reactions
Electrocatalytic reduction reactions play a crucial role in electrochemical energy conversion and storage technology, which are emerging technologies...
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Metal-to-insulator transitions in 3d-band correlated oxides containing Fe compositions
Metal-to-insulator transitions (MITs), which are achieved in 3d-band correlated transitional metal oxides, trigger abrupt variations in electrical,...
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Polymer-Metal Oxides Nanocomposites for Supercapacitors
Conducting polymers (CP) in a supercapacitor are used as pseudo-capacitive materials compared to double-layer capacitors as their redox reactions are...
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Conductive Oxides Role in Flexible Electronic Device Applications
In this chapter, the role of conductive oxides in the fabrication of flexible electronic devices and their applications are reported elaborately. Due...
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Structural Type of α-Pyrochlore Oxides
The structure of the ideal α-pyrochlore with stoichiometry A2M2X6X′ (A—large low-charge cation of alkali, alkaline earth, or rare earth elements),...
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Structural and Electronic Properties of Various Useful Metal Oxides
Recently, metal oxides have generated substantial interest due to their varied electronic and structural properties. These materials are potentially...
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A novel MOF-derived binary metal oxides and carbon nanocomposite for high-performance symmetric supercapacitor application
Transition metal oxides/carbon nanocomposites derived from metal–organic frameworks (MOFs) with enhanced electronic conductivity and high theoretical...
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Stacking textured films on lattice-mismatched transparent conducting oxides via matched Voronoi cell of oxygen sublattice
Transparent conducting oxides are a critical component in modern (opto)electronic devices and solar energy conversion systems, and forming textured...
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Transition-metal oxides with peak oxygen vacancy content for oxygen electrocatalysis
Introducing oxygen vacancies in transition-metal oxides is an effective method to improve electrocatalytic water oxidation activity. However,...
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Molten metal-organic complex to synthesize versatile ultrathin non-layered oxides
Two-dimensional (2D) materials have attracted a great deal of research interest because of their unique electrical, magnetic, optical, mechanical,...
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Atomic tailoring-induced deficiency in tungsten oxides for high-performance energy-related devices
Nowadays, tungsten oxides, as a typical transition metal oxide, are widely and intensively investigated owing to their excellent material properties...
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Van der Waals quaternary oxides for tunable low-loss anisotropic polaritonics
The discovery of ultraconfined polaritons with extreme anisotropy in a number of van der Waals (vdW) materials has unlocked new prospects for...
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Tuning single-phase medium-entropy oxides derived from nanoporous NiCuCoMn alloy as a highly stable anode for Li-ion batteries
AbstractIncorporating four cations into a single-phase oxide is beneficial for maintaining structural stability during Li + insertion/desertion...
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Transition Metal Oxides for Supercapacitors
Active materials are the core components of energy storage devices, which usually determine the potential window and capacity. Among the developed...
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Synthesis, characterization, and novel thermoelectric properties of Nb-based metal oxides XNb2O6 (X = Mg, Ca, Ba) for energy harvesting applications: Experimental and DFT insight
The structural, electronic, and thermoelectric properties of Nb-based metal oxides XNb 2 O 6 (X = Mg, Ca, and Ba) have been investigated using DFT and...
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Scientific Background of Complex Oxides
The term complex oxides in this thesis stands for complex transition metal oxides with perovskite structure. These materials exhibit a rich spectrum...
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Metal Oxides for Hydrogen Evolution Reactions
Hydrogen energy is recognized as an important renewable energy source with zero carbon emission. Hydrogen production via water splitting is...
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Back to basics: synthesis of metal oxides
Synthesis of metal oxides is typically the first step of any materials science research in a field or application involving oxides materials....
