Related papers: Maximizing solubility in rock salt high-entropy ox…
Lanthanum-based compounds are cornerstones of superconductivity research, yet the La-5d orbitals typically remain empty spectator states far above the Fermi level (EF). While superconductivity has been induced in LaO up to 5.37 K in tensile…
Recently, high-entropy alloys (HEAs) have attracted wide attention due to their extraordinary materials properties. A main challenge in identifying new HEAs is the lack of efficient approaches for exploring their huge compositional space.…
ZrCo alloy is promising to substitute uranium for handling hydrogen isotope storage in thermonuclear reactor. The alloying substitution of Zr in ZrCo with Hf or Ti can enhance the ability of anti-disproportionation. In this work,…
Honeycomb layered oxides are a novel class of nanostructured materials comprising alkali or alkaline earth metals intercalated into transition metal slabs. The intricate honeycomb architecture and layered framework endows this family of…
Climate emergency has led to the investigation of CO$_{2}$ valorization routes. A competitive process included in this framework is the catalytic CO$_{2}$ cycloaddition to epoxides, to produce cyclic carbonates. Halide-based Ionic liquids…
Realistic, first-principles-based interatomic potentials have been used in molecular dynamics simulations to study the effect of cation composition on the ionic conductivity in the Zr2Y2O7-Y3NbO7 system and to link the dynamical properties…
Semiconductor heterostructure is a critical building block for modern semiconductor devices. However, forming semiconductor heterostructures of lattice-mismatch has been a great challenge for several decades. Epitaxial growth is infeasible…
The modelling of emission spectra of molecules seen in interstellar clouds requires the knowledge of collisional rate coefficients. Among the commonly observed species, N$_2$H$^+$ is of particular interest since it was shown to be a good…
Development of new high-entropy oxides having configurational entropy dominating the phase stability has become a hot topic since the discovery of rock salt structure entropy-stabilized (ES)(MgCoNiCuZn)O in 2015. Herein, we report a set of…
Metal oxides have been extensively investigated and applied in environmental remediation and protection, energy conversion and storage. Most of these diverse applications are results of a large diversity of the electronic states of metal…
This paper presents a study of the chemical compositions in cool gas around a sample of 27 intermediate-redshift galaxies. The sample comprises 13 massive quiescent galaxies at z=0.40-0.73 probed by QSO sightlines at projected distances…
Cobalt-free high-entropy alloys (HEAs) have garnered interest for nuclear structural applications due to their good mechanical performance, thermal stability, and resistance to radiation-induced degradation, while avoiding long-lived Co…
(CaCuO2)m/(La0.7Sr0.3MnO3)n superlattices, consisting of the infinite layers cuprate CaCuO2 and the optimally doped manganite La1-xSrxMnO3, were grown by pulsed laser deposition. The transport properties are dominated by the manganite…
Superconductivity (Tc), like any other property of a condensate, depends critically on the concentration of atoms. "Physical" dilution of metals exists in nonstoichiometric compounds. In such stoichiometric compounds as oxides, oxygen…
The vast compositional and structural landscape of high-entropy oxides (HEOs) grants them a wide range of potentially valuable physicochemical properties. However, the elemental immiscibility and crystal complexity limit their controllable…
Iron-based high temperature superconductivity develops when the `parent' antiferromagnetic/orthorhombic phase is suppressed, typically by introduction of dopant atoms. But their impact on atomic-scale electronic structure, while in theory…
In kagome metals, flat electronic bands induced by frustrated hopping are a platform for strong electron correlations. In particular, a selective coupling of flat band states to certain kagome phonon modes is proposed as a universal origin…
Calcium aluminate cement (CAC), calcium carbonate (CaCO$_3$), calcium hydroxide [Ca(OH)$_2$] and calcium oxide (CaO) were investigated in alumina-based macroporous compositions for $\textit{in situ}$ formation of hibonite (also known as…
The elastic energy of mixing for multi-component solid solutions is derived by generalizing Eshelby's sphere-in-hole model for binary alloys. By surveying the dependence of the elastic energy on chemical composition and lattice misfit, we…
Li-based half-Heusler alloys have attracted much attention due to their potential applications in optoelectronics and because they carry the possibility of exhibiting large magnetic moments for spintronic applications. Due to their…