Articles with "graphyne" as a keyword



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The nano gold rush: Graphynes as atomic sieves for coinage and Pt-group transition metals

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Published in 2020 at "Applied Surface Science"

DOI: 10.1016/j.apsusc.2019.143927

Abstract: Abstract Graphyne two-dimensional materials have been envisaged as potential useful membranes for applications such as gases separation and water desalination with very high salt rejection rates. The graphyne acetylenic linkages length defines its acetylenic holes… read more here.

Keywords: transition; graphyne; nano gold; transition metals ... See more keywords
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Young's modulus of nanoporous γ-graphyne membrane using an atomistic finite element model

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Published in 2018 at "Solid State Communications"

DOI: 10.1016/j.ssc.2018.05.015

Abstract: Abstract In this study, the Young's moduli of armchair and zigzag nanoporous graphyne membranes with various porosities, pore numbers, and pore arrangements were examined under tensile loading by using the atomic-scale finite element method. The… read more here.

Keywords: finite element; graphyne; young modulus; nanoporous graphyne ... See more keywords
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Converting benzene into γ-graphyne and its enhanced electrochemical oxygen evolution performance

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Published in 2019 at "Journal of Materials Chemistry A"

DOI: 10.1039/c8ta10317h

Abstract: 2D γ-graphyne is mechanosynthesized by using benzene and its effective oxygen evolution reaction performance is demonstrated. read more here.

Keywords: performance; oxygen evolution; graphyne; converting benzene ... See more keywords
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High impact resistance in graphyne

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Published in 2020 at "RSC Advances"

DOI: 10.1039/c9ra09685j

Abstract: Graphyne was recently facilely synthesized with superior mechanical and electrical performance. read more here.

Keywords: high impact; impact resistance; graphyne; resistance graphyne ... See more keywords
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Strain and magnetic field effects on the electronic and transport properties of γ-graphyne

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Published in 2023 at "RSC Advances"

DOI: 10.1039/d2ra08296a

Abstract: In this paper, we apply a tightly binding Hamiltonian model in the presence of a magnetic field for investigating the electronic and transport properties of γ-graphyne layers. We also consider the effects of in-plane biaxial… read more here.

Keywords: graphyne; conductivity; transport properties; electronic transport ... See more keywords
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Boron-phosphorous doped graphyne: A near-infrared light absorber

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Published in 2019 at "AIP Advances"

DOI: 10.1063/1.5106426

Abstract: The first-principle calculation with many-body effects explore the electronic and optical properties of newly designed ‘graphyne with BP at hexagonal ring’ (labeled as BP-yne). Our calculations show that BP-yne surface is a direct band gap… read more here.

Keywords: boron phosphorous; near infrared; band gap; graphyne ... See more keywords

Nonlinear Finite Element Analysis of γ-Graphyne Structures under Shearing

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Published in 2022 at "Molecules"

DOI: 10.3390/molecules27051729

Abstract: In this study, a nonlinear, spring-based finite element approach is employed in order to predict the nonlinear mechanical response of graphyne structures under shear loading. Based on Morse potential functions, suitable nonlinear spring finite elements… read more here.

Keywords: finite element; element analysis; graphyne; graphyne structures ... See more keywords
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Theoretical Investigation of HER and OER Electrocatalysts Based on the 2D R-graphyne Completely Composed of Anti-Aromatic Carbon Rings

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Published in 2023 at "Molecules"

DOI: 10.3390/molecules28093888

Abstract: Based on the DFT calculations, two-dimensional (2D) R-graphyne has been demonstrated to have high stability and good conductivity, which can be conducive to the relevant electrocatalytic activity of the material. Different from the poor graphene,… read more here.

Keywords: graphyne; completely composed; oer; graphyne completely ... See more keywords