First-Principles Study of Lattice Dynamics and Thermal Properties of Alkaline-Earth Metal Nitrides CaN, SrN, and BaN
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DOI: 10.1007/s10948-017-4007-7
Abstract: We have performed first-principles calculations to investigate the structural, electronic, magnetic, lattice dynamics, and thermodynamic properties of ferromagnetic alkaline earth metal nitrides CaN, SrN, and BaN in the rocksalt structure using the plane-wave pseudopotential approach… read more here.
Keywords: earth metal; lattice dynamics; nitrides srn; metal nitrides ... See more keywords
Tuning of Structural Transition Pressure and Electronic Properties of Alkaline Earth Chalcogenides by Isoelectronic Substitution
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DOI: 10.1007/s11664-020-08196-6
Abstract: CaTe exhibits Dirac-like linear dispersion in a simple cubic CsCl-type structure which is stable above pressure of 33 GPa. In the present paper, we have studied all the alkaline earth metal chalcogenides to check for the… read more here.
Keywords: transition pressure; structural transition; dirac like; isoelectronic substitution ... See more keywords
Effects of alkaline earth metals on the surface, structure, and reactivity of α-alumina
Sign Up to like & getrecommendations! Published in 2018 at "Arabian Journal of Geosciences"
DOI: 10.1007/s12517-018-3578-3
Abstract: A series of strontium- and barium-doped alumina samples were prepared by hydrolysis, in neutral medium, starting from commercial Al2O3, SrCO3, and BaCO3 materials. The precursors thus obtained were calcined under air at 700 °C; then, the… read more here.
Keywords: alkaline earth; effects alkaline; metals surface; surface structure ... See more keywords
Alkaline earth metal based single atom catalyst for the highly durable oxygen reduction reaction
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DOI: 10.1016/j.apmt.2020.100846
Abstract: Abstract Developing nonprecious group single-atom catalyst (SACs) based on alkaline earth metal has been rarely explored. Mg metal hampered the catalytic activity towards ORR due to the strong bonding of active centers with oxygenated group… read more here.
Keywords: methodology; metal; catalyst; earth metal ... See more keywords
Enhanced NO 2 abatement by alkaline-earth modified g-C 3 N 4 nanocomposites for efficient air purification
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DOI: 10.1016/j.apsusc.2017.08.084
Abstract: Abstract The emission of nitrogen dioxide (NO2) is a major problem encountered in photocatalytic NOx removal for air purification. Although the oxidation of nitric oxide (NO) has been extensively studied, the elimination of NO2 byproduct… read more here.
Keywords: air purification; earth modified; earth; alkaline earth ... See more keywords
Effects of alkali and alkaline earth metals on Cu-SSZ-39 catalyst for the selective catalytic reduction of NO with NH3
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DOI: 10.1016/j.cej.2020.124250
Abstract: Abstract Alkali/alkaline earth metals from urea solution and engine lubricating oil can induce the chemical deactivation of NH3-SCR catalysts. Cu-SSZ-39, with excellent catalytic performance and hydrothermal stability, is thought to be a good choice for… read more here.
Keywords: alkaline earth; alkali alkaline; metals ssz; effects alkali ... See more keywords
Importance of finding the proper ratio of alkaline earth oxide in a lithium-bismuthate-phosphate glass in order to enhance the tailoring of structural and electrical properties
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DOI: 10.1016/j.ceramint.2020.05.168
Abstract: Abstract Structural features of the glass family xLi2O- yMgO (4.8 Bi2O3 47.6 P2O5) obtained by melt quenching technique were studied taking into account the density, FTIR and UV–vis spectra and also the electrical response observed… read more here.
Keywords: order; importance; glass; earth ... See more keywords
The differences between alkaline- and alkaline-earth-flux effects on high-temperature phase change of clay based ceramic
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DOI: 10.1016/j.clay.2018.04.029
Abstract: Abstract The differences of the effects of alkaline (illitic clay, K and Ca-Na feldspar) and alkaline-earth flux additions (sepiolitic-dolomite, talc, huntite, hydromagnesite, magnesitic clay and Calcite) on the high-temperature-phases (HTP) of ceramic bodies derived from… read more here.
Keywords: ball clay; high temperature; earth flux; clay ... See more keywords
Computational study of selectivity of dibenzo-18-crown-6-ether dimer for alkaline-earth divalent cations
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DOI: 10.1016/j.comptc.2019.112671
Abstract: Abstract We performed a DFT calculation of the cationic selectivity for 2:1 complexes of two dibenzo-18-crown-6-ethers (DB18C6s) and one alkaline-earth cation with the M06-2X functional and IEFPCM/SMD solvation models. In Ba2+-(DB18C6)2 or Sr2+-(DB18C6)2, the ion… read more here.
Keywords: alkaline earth; ba2; selectivity; dibenzo crown ... See more keywords
Understanding d-orbital participation in alkaline earth metal complexes
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DOI: 10.1016/j.comptc.2020.113122
Abstract: Abstract Alkaline earth metal (AEM) complexes have recently been shown to possess electronic characteristics similar to those of transition metal complexes, with their d orbitals participating in bonding interactions. While this surprising discovery changes our… read more here.
Keywords: participation; earth metal; aem complexes; metal ... See more keywords
Structural investigation for the low-lying electronic states with rovibrational calculations of the alkaline-earth fluoride cations XF+ (X = Be, Mg, Ca)
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DOI: 10.1016/j.comptc.2021.113357
Abstract: Abstract Due to the lack of theoretical data about the electronic structure on the molecular cations BeF+, MgF+ and CaF+, an accurate ab initio calculations have been investigated for these molecules using the multi-reference configuration… read more here.
Keywords: fluoride cations; low lying; lying electronic; electronic states ... See more keywords