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   Articles with "insight electronic" as a keyword



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Insight into electronic, magnetic and optical properties of magnetically ordered Bi2Fe4O9

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recommendations! Published in 2019 at "Journal of Magnetism and Magnetic Materials"

DOI: 10.1016/j.jmmm.2018.12.028

Abstract: Abstract Non-collinear antiferromagnetic (AFM) spin structure is imposed in Bi2Fe4O9 to study the electronic and magnetic properties of magnetically ordered Bi2Fe4O9 using first principles. Electronic properties carried out for both ferromagnetic (FM) and antiferromagnetic (AFM)… read more here.

Keywords: magnetically ordered; ordered bi2fe4o9; properties magnetically; electronic magnetic ... See more keywords
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Theoretical insight into electronic and molecular properties of halogenated (F, Cl, Br) and hetero-atom (N, O, S) doped cyclooctane

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recommendations! Published in 2022 at "Materials Chemistry and Physics"

DOI: 10.1016/j.matchemphys.2021.125239

Abstract: Abstract Undoubtedly, cyclooctane has been investigated theoretically and experimentally, however, considering the vast application of cycloalkanes and limited research for the higher members, the reactivity and structural investigation of cyclooctane, fluorocyclooctane, bromocyclooctane, chlorocyclooctane, azocane, oxocane… read more here.

Keywords: theoretical insight; molecular properties; properties halogenated; electronic molecular ... See more keywords
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An insight into electronic and optical properties of multilayer graphene quantum dots synthesized by hydrothermal approach

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recommendations! Published in 2018 at "Synthetic Metals"

DOI: 10.1016/j.synthmet.2018.03.005

Abstract: Abstract The carbonaceous small sized graphene quantum dots (GQDs) synthesized by hydrothermal route manifest the existence of band gap by cutting the graphene sheets into quantum dots (QDs). Consequently, the tuning of band gap from… read more here.

Keywords: band gap; graphene quantum; synthesized hydrothermal; excitation ... See more keywords
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Insight into the Electronic Properties of Semiconductor Heterostructure Based on Machine Learning and First-Principles.

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recommendations! Published in 2023 at "ACS applied materials & interfaces"

DOI: 10.1021/acsami.2c15957

Abstract: A first-principles approach is a powerful means of gaining insight into the intrinsic structure and properties of materials. However, with the implementation of material genetic engineering, it is still a challenging road to discover materials… read more here.

Keywords: machine; machine learning; first principles; electronic properties ... See more keywords
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Insight into the electronic and thermodynamic properties of NbSi2 from first-principles calculations

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recommendations! Published in 2018 at "RSC Advances"

DOI: 10.1039/c8ra04959a

Abstract: The electronic and thermodynamic properties of NbSi2 with four structures (C40, C11b, C54 and C49) were studied in terms of first-principle calculations. The band structure and density of states of four NbSi2 are calculated. Those… read more here.

Keywords: thermodynamic properties; nbsi2 first; properties nbsi2; electronic thermodynamic ... See more keywords