Electronic structure, chemical bonding, optical, elastic and dynamical properties of MeB2 compounds: Effect of transition metal Me = Sc, Ti and Zr
Sign Up to like & getrecommendations! Published in 2019 at "Computational Condensed Matter"
DOI: 10.1016/j.cocom.2019.e00406
Abstract: Abstract In present paper, the electronic structure, chemical bonding, optical, elastic and dynamical properties of MeB2 compounds (Me = Sc, Ti and Zr) have been systematically investigated using the first principles calculations to show the effect of… read more here.
Keywords: chemical; chemical bonding; optical elastic; structure chemical ... See more keywords
Characterization of a submandibular gland sialolith: micromorphology, crystalline structure, and chemical compositions.
Sign Up to like & getrecommendations! Published in 2017 at "Oral surgery, oral medicine, oral pathology and oral radiology"
DOI: 10.1016/j.oooo.2017.03.011
Abstract: OBJECTIVE The aim of this study was to understand the mechanism of mineralization and growth of a sialolith by analyzing its micromorphology, crystalline structure, and chemical compositions. STUDY DESIGN A sialolith was removed along with… read more here.
Keywords: structure chemical; microscopy; chemical compositions; structure ... See more keywords
Unusual structure and chemical behavior of potassium-indium under pressure
Sign Up to like & getrecommendations! Published in 2019 at "Solid State Communications"
DOI: 10.1016/j.ssc.2018.10.013
Abstract: Abstract Pressure has become a powerful tool in obtaining unconventional compounds with fascinating properties. Alkali metal trielides have drawn significant attention, because of their structural characters and broad applications. In this article, we have extensively… read more here.
Keywords: unusual structure; behavior potassium; potassium indium; structure chemical ... See more keywords
Crystal structure, Chemical Bonding, and Magnetism of α-Fe6Ga5: How Local Interactions Shape the Structure and Properties of Intermetallic Compounds.
Sign Up to like & getrecommendations! Published in 2024 at "Inorganic chemistry"
DOI: 10.1021/acs.inorgchem.4c03247
Abstract: α-Fe6Ga5 was synthesized from the elements as a polycrystalline powder. Its crystal structure was redetermined by high-resolution powder X-ray diffraction, which showed a complex monoclinic structure of the Fe6Ge5 type. The determined lattice parameters (a… read more here.
Keywords: short bonds; crystal structure; structure chemical; structure ... See more keywords
Structure and Chemical Properties of Oxide Nanoparticles Determined by Surface-Ligand IR Spectroscopy
Sign Up to like & getrecommendations! Published in 2019 at "ACS Catalysis"
DOI: 10.1021/acscatal.9b04016
Abstract: Recent progress in instrumentation has provided the basis for characterizing the surfaces of catalytically active oxide materials by using surface-ligand IR (SLIR) spectroscopy. Reference data have been obtained for molecular ligands, in particular for CO… read more here.
Keywords: structure chemical; surface ligand; oxide nanoparticles; spectroscopy ... See more keywords
RCuMg2 compounds (R = Dy-Tm, Lu): crystal structure, chemical bonding and magnetic properties.
Sign Up to like & getrecommendations! Published in 2025 at "Dalton transactions"
DOI: 10.1039/d5dt01632k
Abstract: The RCuMg2 intermetallics (R = Dy-Tm, Lu) were found to crystallize in a new structure type (DyCuMg2, oP32, space group: Pmma, a = 13.5397(4), b = 3.7594(1), c = 13.7985(4) Å). This unique crystal space… read more here.
Keywords: rcumg2 compounds; crystal structure; structure chemical; structure ... See more keywords
Band structure and chemical bonding of GaP: pressure-induced effects
Sign Up to like & getrecommendations! Published in 2020 at "Phase Transitions"
DOI: 10.1080/01411594.2020.1817452
Abstract: ABSTRACT We present a theoretical study on electronic structure and chemical trends of zinc-blende GaP under compression up to 100 kbar obtained from a pseudopotential approach calculations. The influence of high pressure on the features of… read more here.
Keywords: structure chemical; gap; bonding gap; chemical bonding ... See more keywords
Structure and Chemical Composition of Manganese-Doped GaSb Dislocations
Sign Up to like & getrecommendations! Published in 2018 at "Russian Journal of Inorganic Chemistry"
DOI: 10.1134/s0036023618090152
Abstract: Electron microscopic observations showed that the preparation of magnetic semiconductor GaSb〈Mn〉 by melt quenching is accompanied by discrete manganese precipitation on GaSb dislocations, this precipitation generating inclusions sized from a split micrometer to several micrometers.… read more here.
Keywords: structure chemical; gasb dislocations; chemical composition; manganese doped ... See more keywords