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A thorough consideration of the relation between the lattice parameters of 185 binary and ternary spinel compounds, on one side, and ionic radii and electronegativities of the constituting ions, on the other side, allowed for establishing a…
The search for sustainable, high-performance cathodes has driven a growing interest in sodium superionic conductor (NASICON)-type phosphates for sodium-ion batteries (SIBs). To identify promising NASICONs containing earth-abundant…
The study of complex nitrogen (N)-bearing molecules is essential for probing the physical and chemical evolution of star-forming regions. In this paper, we present the identification of rotational emission lines from several complex…
Low-molecular weight (LMW) hydrogels are gaining interest over macromolecular gels due to their reversible, dynamic and stimuli-responsive nature. They are potentially interesting functional materials for advanced applications such as…
The nitride semiconductor materials GaN, AlN, and InN, and their alloys and heterostructures have been investigated extensively in the last 3 decades, leading to several technologically successful photonic and electronic devices. Just over…
Nanostructured electronic devices, such as those based on graphene, are typically grown on top of the insulator SiO2. Their exposure to a flux of small size-selected silver nanoparticles has revealed remarkably selective adhesion: the…
High-temperature superconductivity is reported in a series of compositionally-complex cuprates with varying degrees of size and spin disorder. Three compositions of Y-site alloyed YBa$_2$Cu$_3$O$_{7-x}$, i.e., (5Y)BCO, were prepared using…
This paper presents a large-scale $ab$ $initio$ simulation study of amorphous silicon hydride ($a$-Si$_{\text{1-x}}$H$_{\text{x}}$) with an emphasis on the structure and properties of the material across a range of hydrogen concentration by…
Spherosilicate, consisting of a double 4-ring cyclosilicate core (D4R; Si8O20) with every corner functionalized with a dimethylsilyl chloride group (-SiMe2Cl), was used as node to construct an iso-reticular series of porous expanded network…
Two-dimensional (2D) materials have garnered significant attention due to their unique properties and broad application potential. Building on the success of goldene, a monolayer lattice of gold atoms, we explore its proposed silver and…
Hybrid silicon nanowires with an integrated light-emitting segment can significantly advance nanoelectronics and nanophotonics. They would combine transport and optical characteristics in a nanoscale device, which can operate in the…
Rare-earth infinite-layer nickelates represent an emerging class of unconventional superconductors, with materials synthesis largely limited to early lanthanide compounds. Here, we report the synthesis and characterization of phase-pure…
We report on the microscopic surface structure of carbon-fiber-reinforced silicon carbide (C/SiC) composite mirrors that have been improved for the Space Infrared Telescope for Cosmology and Astrophysics (SPICA) and other cooled telescopes.…
We successfully synthesized the nickel-based compound GdONiBi with superconducting transition temperature about 4.5 K. By partially substituting the element Gd with Sr to introduce holes into the material, we got new superconductor…
Driven by applications in information technology, the search for new materials with stable, long-range magnetic ordering continues. Metalorganic magnets, involving the coordination of metal atoms with specific organic ligands, are a focus…
Metal nanostructures have received significant attention in recent years owing to their peculiar physical and chemical properties, which span a wide range of practical applications in a variety of scientific and engineering fields. Herein,…
The structural evolution and dynamics of silver nanodrops Ag${}_{2896}$ (4.4 nm in diameter) during rapid cooling conditions has been studied by means of molecular dynamics simulations and electronic density of state calculations. The…
Noting the structural relationships between phases of carbon and boron carbide with phases of boron nitride and boron subnitride, we investigate their mutual solubilities using a combination of first principles total energies supplemented…
Tuberculosis remains today a major public health issue with a total of 9 million new cases and 2 million deaths annually. The lack of an effective vaccine and the increasing emergence of new strains of Mycobacterium tuberculosis (Mtb)…
Organic-inorganic hybrids may offer material properties not available from their inorganic components. However, they are typically less stable and disordered. Long-term stability study of the hybrid materials, over the anticipated lifespan…