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Browsing by Subject "Graphene"

Browsing by Subject "Graphene"

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  • Kibis, Oleg; Dini, Kevin Tanguy Elian; Iorsh, Ivan; Shelykh, Ivan (American Physical Society (APS), 2017-03-01)
    We demonstrate theoretically that the interaction of electrons in gapped Dirac materials (gapped graphene and transition-metal dichalchogenide monolayers) with a strong off-resonant electromagnetic field (dressing field) substantially renormalizes the ...
  • Kirchhoff, Björn (University of Iceland, School of Engineering and Natural Sciences, Faculty of Physical Sciences, 2021-05-28)
    The oxygen reduction reaction (ORR) is of central importance in the development of more efficient and durable fuel cells and computer simulations can be used to help explain and predict properties of ORR catalysts. In this thesis, various simulation methods ...
  • Abdullah, Nzar Rauf; Abdalla, Danyal A.; Ahmed, Taha Y.; Abdulqadr, Sarbast W.; Rashid, Hunar Omar (Elsevier BV, 2020-09)
    We theoretically investigate structural stability, electronic and thermal characteristic of boron and nitrogen codoped monolayer graphene using density functional theory and Boltzmann transport equation. Three types of BN dimers, ortho, meta, and para ...
  • Nemnes, G. A.; Mitran, T. L.; Manolescu, Andrei (Hindawi Limited, 2019-05-16)
    The electronic properties of graphene nanoflakes (GNFs) with embedded hexagonal boron nitride (hBN) domains are investigated by combined ab initio density functional theory calculations and machine-learning techniques. The energy gaps of the quasi-0D ...
  • Morina, Skender; Dini, Kevin Tanguy Elian; Iorsh, Ivan; Shelykh, Ivan (American Chemical Society (ACS), 2018-02-12)
    We propose an experimentally friendly scheme for trapping quasi-relativistic electrons in graphene by an electromagnetic beam with circular polarization and a spatially inhomogeneous profile with an intensity dip. The trapping is achieved due to the ...
  • Iorsh, Ivan; Dini, Kevin Tanguy Elian; Kibis, Oleg; Shelykh, Ivan (American Physical Society (APS), 2017-10-11)
    It is shown theoretically that the renormalization of the electron energy spectrum of bilayer graphene with a strong high-frequency electromagnetic field (dressing field) results in the Lifshitz transition—the abrupt change in the topology of the Fermi ...
  • Rashid, Hunar Omar; Abdullah, Nzar; Gudmundsson, Vidar (Elsevier BV, 2019-12)
    The electronic structure, specific heat, and thermal conductivity of silicon embedded in a monolayer graphene nanosheet are studied using Density Functional Theory. Two different shapes of the substitutional Si doping in the graphene are studied, a ...
  • Lovecchio, Joseph; Gargiulo, Paolo; Vargas Luna, José Luis; Giordano, Emanuele; Sigurjonsson, Olafur (Springer Science and Business Media LLC, 2019-11-14)
    The availability of engineered biological tissues holds great potential for both clinical applications and basic research in a life science laboratory. A prototype standalone perfusion/compression bioreactor system was proposed to address the osteogenic ...
  • Koroliov, Anton; Chen, Genyu; Goodfellow, Kenneth M.; Vamivakas, A. Nick; Staniszewski, Zygmunt; Sobolewski, Peter; Fray, Mirosława El; Łaszcz, Adam; Czerwinski, Andrzej; Richter, Christiaan; Sobolewski, Roman (MDPI AG, 2019-01-23)
    The terahertz time-domain spectroscopy (THz-TDS) technique has been used to obtain transmission THz-radiation spectra of polymer nanocomposites containing a controlled amount of exfoliated graphene. Graphene nanocomposites (1 wt%) that were used in ...