Related papers: A high-performance cobalt-free cathode for proton-…
Different dopants with their specific dopant concentration can be utilized to produce ferroelectric HfO$_2$ thin films. In this work it is explored for the example of Sr in a comprehensive first-principles study. Density functional…
Proton ceramic fuel cells (PCFCs) achieve high efficiency at reduced operating temperatures, but their performance is often limited by slow oxygen reduction reaction (ORR) kinetics at the cathode. The BaCoFeZrY (BCFZY) perovskite family is…
Electrocatalysts based on transition metal sulfides are drawing accelerating concerns in renewable energy research because of their intrinsically excellent activities towards both hydrogen evolution reaction and oxygen evolution reaction.…
Chemical doping has recently become a very important strategy to induce superconductivity especially in complex compounds. Distinguished examples include Ba-doped La$_2$CuO$_4$ (the first high temperature superconductor), K-doped BaBiO$_3$,…
This study utilizes first-principles computational methods to comprehensively analyze the impact of A-site doping on the proton conduction properties of BaHfO$_3$. The goal is to offer theoretical support for the advancement of electrolyte…
In this study, we investigate the structural properties, chemical stability, and electronic, optical, and thermoelectric properties of $\mathrm{Sr_2PrSbO_6}$ using first-principles calculations based on Density Functional Theory (DFT). The…
The filled skutterudite compound SmOs_{4}Sb_{12} was prepared in single crystal form and characterized. The SmOs_{4}Sb_{12} crystals have the LaFe_{4}P_{12}-type structure with lattice parameter a = 9.3085 Angstroms. Specific heat…
One effective way to prevent toxicity and improve the stability of materials for photovoltaic applications is to exclude lead and organic molecules from perovskite materials. Specifically, the CsSn1-xGexI3 appears to be a promising…
Strong control over experimental conditions in microfluidic channels provides a unique opportunity to study and optimize membraneless microbial fuel cells (MFCs), particularly with respect to the role of flow. However, improved performance…
In this letter, we report the structural, electronic and ferroelectric properties of the layered mixed-valent transition-metal compound, Sr$_{4}$Fe$_{6}$O$_{12}$ (SFO). We demonstrate how SFO undergoes a phase transition from a…
Metal-organic frameworks (MOFs), which are self-assemblies of metal ions and organic ligands, provide a tunable platform to search a new state of matter. A two-dimensional (2D) perfect kagome lattice, whose geometrical frustration is a key…
All-solid-state batteries (ASSBs) offer a promising route to safer batteries with superior energy density compared to conventional Li-ion batteries (LIBs). However, the design of the composite cathode and optimization of the underlying…
We report synthesis, structural details and magnetization of SmFe1-xCoxAsO with x ranging from 0.0 to 0.30. It is found that Co substitutes fully at Fe site in SmFeAsO in an iso-structural lattice with slightly compressed cell. The parent…
Lithium-sulfur technology garners significant interest due to sulfur's higher specific capacity, cost-effectiveness, and environmentally friendly aspects. However, sulfur's insulating nature and poor cycle life hinder practical application.…
La$_{0.58}$Ca$_{0.4}$Co$_{0.2}$Fe$_{0.8}$O$_{3-\delta}$ (L58CCF) was synthesized and evaluated as a cathode electrode for intermediate temperature solid oxide fuel cells (IT-SOFC) based on the Y$_2$O$_3$-stabilized ZrO$_2$ (YSZ)…
Simultaneous study of magnetic and electrocatalytic properties of cobaltites under extreme conditions expands understanding of physical and chemical processes proceeding in them with the possibility of their further practical application.…
Using an ab initio evolutionary algorithm combined with first-principles calculations, two metastable NaMnO$_2$ polymorphs, $I4_1/amd$ and Cmcm, are identified as promising cathode materials for sodium-ion batteries. Both phases exhibit…
A large challenge in determining the physics of helimagnetic SrFeO3 is in stabilizing the stoichiometric chemical phase over long enough time scales to conduct extensive measurements. Degradation in SrFeO3 manifests mainly as a crossover…
We report synthesis, structural details and magnetization of SmFe1-xCoxAsO with x ranging from 0.0 to 1.0 at close interval of 0.10. It is found that Co substitutes fully at Fe site in SmFeAsO in an iso-structural lattice with slightly…
Herein, a self-assembled hierarchical structure of hematite ($\alpha$-$Fe_2O_3$) was synthesized via a one-pot hydrothermal method. Subsequently, the nanomaterial was doped to get $M_{x}Fe_{2-x}O_3$ (M = Mn-Co; x = 0.01, 0.05, 0.1) at…