Articles with "group elements" as a keyword



Interfacial Effects on the Growth of Atomically Thin Film: Group VA Elements on Au(111)

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Published in 2019 at "Advanced Materials Interfaces"

DOI: 10.1002/admi.201901050

Abstract: The understanding of growth mechanism at atomic scale is a key issue for realizing wafer‐scale, high‐quality 2D materials, in which their interfaces play a crucial role. Here, the adsorption and the aggregation of group VA… read more here.

Keywords: elements 111; group elements; growth; interfacial effects ... See more keywords

Monohydrides of the Group 13 Elements M = B, Al and Ga: Axial Bi-Nucleophilicity and the Propensity to form both H-M…HX and M-H…HX Hydrogen Bonds ( X = F, Cl, Br, I, CN, CCH, CP).

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Published in 2024 at "ChemPlusChem"

DOI: 10.1002/cplu.202400314

Abstract: Equilibrium dissociation energies De of the hydrogen-bonded complexes HAl···HX and HGa···HX (X = F, Cl, Br, I, CN, CCH, and CP) were calculated ab initio at the CCSD(T)-(F12c)/ cc-pVDZ-F12 level of theory. The gradients of… read more here.

Keywords: axial nucleophilicity; elements axial; monohydrides group; group ... See more keywords
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Comparison of group 14 elements in sp3 and sp2 environment by fragment structure energy analysis

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Published in 2021 at "Journal of Computational Chemistry"

DOI: 10.1002/jcc.26718

Abstract: To explore the characteristics of group 14 elements in sp3 and sp2 hybrid environments systematically, the concept of fragment structure energy (FSE) was proposed through ab initio molecular orbital method. A fragment in this study… read more here.

Keywords: energy; group; group elements; environment ... See more keywords

Investigation of group 13 elements as potential candidates for p-type dopants in the narrow-gap thermoelectric semiconductor α-SrSi2

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Published in 2024 at "Journal of Materials Science"

DOI: 10.1007/s10853-024-09653-x

Abstract: To investigate the possibility of p-type doping of α-SrSi2, a promising as an eco-friendly thermoelectric material, the energy changes of substitutions of the Si site of α-SrSi2 by group 13 elements were evaluated using first-principles… read more here.

Keywords: semiconductor; investigation group; srsi2; group elements ... See more keywords

Group V Elements (V, Nb and Ta) Doped CeO2 Particles for Efficient Photo-Oxidation of Methylene Blue Dye

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Published in 2020 at "Journal of Inorganic and Organometallic Polymers and Materials"

DOI: 10.1007/s10904-020-01822-0

Abstract: A facile chemical route was adopted to synthesize doped CeO2 nanoparticles (NPs) with group V elements (V, Nb and Ta) as dopants. Successful incorporation of dopants was confirmed with higher angle shift of diffraction peaks… read more here.

Keywords: blue dye; doped ceo2; methylene blue; spectroscopy ... See more keywords

The behavior of Pt, Pd, Cu and Ni in the Se-sulfide system between 1050 and 700 °C and the role of Se in platinum-group elements fractionation in sulfide melts

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Published in 2017 at "Geochimica et Cosmochimica Acta"

DOI: 10.1016/j.gca.2017.05.010

Abstract: Abstract The behavior of Pt, Pd, Ni and Cu in Se-sulfide system and the role of Se in platinum-group elements (PGE) fractionation have been experimentally investigated at temperatures between 1050 and 700 °C in evacuated silica… read more here.

Keywords: sulfide; sulfide system; platinum group; group elements ... See more keywords

Some facts on the platinum-group elements

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Published in 2017 at "International Review of Financial Analysis"

DOI: 10.1016/j.irfa.2017.04.003

Abstract: The platinum-group elements (PGE) include platinum, palladium, rhodium, ruthenium, iridium, and osmium. In this article, we concentrate on the dependency structure and economic determinants of PGE, silver, and gold prices. We find that the strongest… read more here.

Keywords: pge silver; platinum group; pge; silver ... See more keywords
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Sums of sets of abelian group elements

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Published in 2020 at "Journal of Number Theory"

DOI: 10.1016/j.jnt.2019.07.026

Abstract: Abstract Text For a positive integer k, let f ( k ) denote the largest integer t such that for every finite abelian group G and every zero-sum free subset S of G, if |… read more here.

Keywords: abelian group; group; sums sets; group elements ... See more keywords

Metallaheteroboranes containing group 16 elements: An experimental and theoretical study

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Published in 2019 at "Journal of Organometallic Chemistry"

DOI: 10.1016/j.jorganchem.2019.01.007

Abstract: Abstract Thermolysis of diphenyl dichalcogenides, Ph2E2 (E = S, Se and Te) with an insitu generated intermediate, obtained from the reaction of [Cp*WCl4] (Cp* = η5-C5Me5) with [LiBH4·THF], yielded new tungstaheteroboranes, [(Cp*W)2(μ-EPh)(μ3-E)(μ-H)(B3H2EPh)], 1 and 2 (1: E = S; 2: E = Se),… read more here.

Keywords: theoretical study; experimental theoretical; group elements; containing group ... See more keywords

Machine Learning-Guided Discovery of Ternary Compounds Containing La, P, and Group 14 Elements.

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Published in 2022 at "Inorganic chemistry"

DOI: 10.1021/acs.inorgchem.2c02431

Abstract: We integrate a deep machine learning (ML) method with first-principles calculations to efficiently search for the energetically favorable ternary compounds. Using La-Si-P as a prototype system, we demonstrate that ML-guided first-principles calculations can efficiently explore… read more here.

Keywords: machine learning; discovery; ternary compounds; group elements ... See more keywords

Ferrocenyl-substituted low-coordinated heavier group 14 elements.

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Published in 2020 at "Dalton transactions"

DOI: 10.1039/d0dt01426e

Abstract: Several examples of stable low-coordinated species of heavier group 14 elements (Si, Ge, Sb, Pb) such as divalent species and multiple-bond compounds have been reported. With the goal in mind to create unprecedented low-coordinated species… read more here.

Keywords: coordinated species; low coordinated; species heavier; group elements ... See more keywords