Zobrazeno 1 - 7 of 7 pro vyhledávání: '"Songül Güryel"'
1
Temperature Controls Guest Uptake and Release from Zn4L4 Tetrahedra
Autor: Jonathan R. Nitschke, Dawei Zhang, Tanya K. Ronson, David J. Wales, John D. Thoburn, Songül Güryel
Publikováno v: Journal of the American Chemical Society
We report the preparation of triazatruxene-faced tetrahedral cage 1, which exhibits two diastereomeric configurations (T1 and T2) that differ in the handedness of the ligand faces relative to that of the octahedrally coordinated metal centers. At low
Externí odkaz: https://explore.openaire.eu/search/publication?articleId=doi_dedup___::86fb8ec075341297fe0cfbc3fde8794b
https://doi.org/10.1021/jacs.9b07307
Zobrazit plný text záznamu
2
Molecular Dynamics Simulations of the Structure and the Morphology of Graphene/Polymer Nanocomposites
Autor: Songül Güryel, F. De Proft, Mark R. Wilson, Paul Geerlings, Martin Walker
Publikováno v: Physical chemistry chemical physics, 2017, Vol.19, pp.12959-12969 [Peer Reviewed Journal]
The structure and morphology of three polymer/graphene nanocomposites have been studied using classical molecular dynamics (MD) simulations. The simulations use 10-monomer oligomeric chains of three polymers: polyethylene (PE), polystyrene (PS) and p
Externí odkaz: https://explore.openaire.eu/search/publication?articleId=doi_dedup___::2ebfa3a6764b48fd7fbaa3ddc787ca10
https://doi.org/10.1039/c7cp01552f
Zobrazit plný text záznamu
3
Out-of-plane shear and out-of plane Young’s modulus of double-layer graphene
Autor: Hans Miltner, Paul Geerlings, Songül Güryel, Frank De Proft, Balázs Hajgató, Jean-Marie Blairon, Gregory Van Lier, Yves Dauphin
Publikováno v: Chemical Physics Letters. 564:37-40
In this Letter we predict the out-of-plane Young’s modulus (perpendicular to the basal plane) and the out-of-plane shear modulus of double-layer graphene using density functional theory calculations with periodic boundary conditions using the G aus
Externí odkaz: https://explore.openaire.eu/search/publication?articleId=doi_________::fe7c450c2a3025c7b3a81be260e2a1f1
https://doi.org/10.1016/j.cplett.2013.02.018
Zobrazit plný text záznamu
4
Theoretical Investigation of the Intrinsic Mechanical Properties of Single- and Double-Layer Graphene
Autor: Balázs Hajgató, Paul Geerlings, Yves Dauphin, Hans Miltner, Jean-Marie Blairon, Songül Güryel, Gregory Van Lier, Frank De Proft
Publikováno v: Vrije Universiteit Brussel
In this study, the Young’s and flexural moduli of single- and double-layer graphene have been theoretically investigated using periodic boundary condition (PBC) density functional theory (DFT) with the PBE, HSE06H, and M06L functionals in conjuncti
Externí odkaz: https://explore.openaire.eu/search/publication?articleId=doi_dedup___::8328473644282aa1e12c0b0992133960
https://doi.org/10.1021/jp307469u
Zobrazit plný text záznamu
5
Effect of Structural Defects and Chemical Functionalisation on the Intrinsic Mechanical Properties of Graphene
Autor: Gregory Van Lier, Frank De Proft, Paul Geerlings, Balázs Hajgató, Songül Güryel, Hans Miltner, Yves Dauphin, Jean-Marie Blairon
Publikováno v: Vrije Universiteit Brussel
Due to its unique mechanical properties, graphene can be applied for reinforcement in nanocomposites. We analyse the Young’s modulus of graphene at the semi-empirical PM6 level of theory. The internal forces are calculated and the Young’s modulus
Externí odkaz: https://explore.openaire.eu/search/publication?articleId=doi_dedup___::ce67b53f321e02f4f4c9e6bfb9a099dc
https://hdl.handle.net/20.500.14017/25339732-fab7-41f7-a58c-93dd25cca190
Zobrazit plný text záznamu

Vyhledávací nástroje:

Upřesnit hledání

Omezení vyhledávání
Plný text Recenzováno Digitální knihovna AV ČR
Zdroje