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We investigate the effects of transition metals (TM) on the electronic doping and scattering in graphene using molecular beam epitaxy combined with in situ transport measurements. The room temperature deposition of TM onto graphene produces…

Mesoscale and Nanoscale Physics · Physics 2010-01-20 K. Pi , K. M. McCreary , W. Bao , Wei Han , Y. F. Chiang , Yan Li , S. -W. Tsai , C. N. Lau , R. K. Kawakami

We study the effects of metallic doping on the electronic properties of graphene using density functional theory in the local density approximation in the presence of a local charging energy (LDA+U). The electronic properties are sensitive…

Materials Science · Physics 2009-11-13 B. Uchoa , C. -Y. Lin , A. H. Castro Neto

Atomic-scale fabrication is an outstanding challenge and overarching goal for the nanoscience community. The practical implementation of moving and fixing atoms to a structure is non-trivial considering that one must spatially address the…

Ab-initio calculations have been performed to study the geometry and electronic structure of boron (B) and nitrogen (N) doped graphene sheet. The effect of doping has been investigated by varying the concentrations of dopants from 2 % (one…

Mesoscale and Nanoscale Physics · Physics 2012-09-25 Pooja Rani , V. K. Jindal

Graphene is a promising candidate to succeed silicon based devices and doping holds the key to graphene electronics. Conventional doping methods through surface functionalization or lattice modification are effective in tuning carrier…

Mesoscale and Nanoscale Physics · Physics 2016-11-16 Yangbo Zhou , Jakub Jadwiszczak , Darragh Keane , Ying Chen , Dapeng Yu , Hongzhou Zhang

The thermodynamic, kinetic and magnetic properties of the hydrogen monomer on doped graphene layers were studied by ab initio simulations. Electron doping was found to heighten the diffusion potential barrier, while hole doping lowers it.…

Materials Science · Physics 2011-08-17 Liang Feng Huang , Mei Yan Ni , Guo Ren Zhang , Wang Huai Zhou , Yong Gang Li , Xiao Hong Zheng , Zhi Zeng

Making devices with graphene necessarily involves making contacts with metals. We use density functional theory to study how graphene is doped by adsorption on metal substrates and find that weak bonding on Al, Ag, Cu, Au and Pt, while…

Materials Science · Physics 2009-11-13 G. Giovannetti , P. A. Khomyakov , G. Brocks , V. M. Karpan , J. van den Brink , P. J. Kelly

One of the salient features of graphene is the very high carrier mobility that implies tremendous potential for use in electronic devices. Unfortunately, transport measurements find the expected high mobility only in freely suspended…

Mesoscale and Nanoscale Physics · Physics 2015-06-04 Søren Ulstrup , Marco Bianchi , Richard Hatch , Dandan Guan , Alessandro Baraldi , Dario Alfè , Liv Hornekær , Philip Hofmann

The electrical properties of graphene are known to be modified by chemical species that interact with it. We investigate the effect of doping of graphene-based devices by toluene (C6H5CH3). We show that this effect has a complicated…

Materials Science · Physics 2010-10-25 A. A. Kaverzin , S. M. Strawbridge , A. S. Price , F. Withers , A. K. Savchenko , D. W. Horsell

Graphene decorated with 5d transitional metal atoms is predicted to exhibit many intriguing properties; for example iridium adatoms are proposed to induce a substantial topological gap in graphene. We extensively investigated the…

Mesoscale and Nanoscale Physics · Physics 2016-04-18 Yilin Wang , Shudong Xiao , Xinghan Cai , Wenzhong Bao , Janice Reutt-Robey , Michael S. Fuhrer

Graphene, a one-atom thick zero gap semiconductor [1, 2], has been attracting an increasing interest due to its remarkable physical properties ranging from an electron spectrum resembling relativistic dynamics [3-12] to ballistic transport…

Mesoscale and Nanoscale Physics · Physics 2011-11-09 T. O. Wehling , K. S. Novoselov , S. V. Morozov , E. E. Vdovin , M. I. Katsnelson , A. K. Geim , A. I. Lichtenstein

Near-interfacial oxide traps and chemical impurities on the graphene surface or at the graphene-dielectric interface can be a source of intentional or unintentional doping of graphene sheet. The efficiency of such chemical doping can vary…

Mesoscale and Nanoscale Physics · Physics 2019-07-03 G. I. Zebrev , S. A. Shostachenko

We simulate the optical and electrical responses in gallium-doped graphene. Using density functional theory with a local density approximation, we simlutate the electronic band structure and show the effects of impurity doping (0-3.91\%) in…

We have studied the graphene/gold interface by means of density functional theory (DFT) and scanning tunneling spectroscopy (STS). Weak interaction between graphene and the underlying gold surface leaves unperturbed Dirac cones in the…

Materials Science · Physics 2015-06-03 J. Slawinska , I. Wlasny , P. Dabrowski , Z. Klusek , I. Zasada

We have performed scanning gate microscopy (SGM) on graphene field effect transistors (GFET), using a biased metallic nanowire coated with a dielectric layer as a contact mode tip and local top gate. Electrical transport through graphene at…

Recent low-temperature electron transport experiments in high-quality graphene rely on a technique of doped graphene leads, where the coupling between the graphene flake and its metallic contacts is increased by locally tuning graphene to…

Graphene is an excellent candidate for the next generation of electronic materials due to the strict two-dimensionality of its electronic structure as well as the extremely high carrier mobility. A prerequisite for the development of…

Materials Science · Physics 2009-10-01 Isabella Gierz , Christian Riedl , Ulrich Starke , Christian R. Ast , Klaus Kern

Graphene, as a semimetal with the largest known thermal conductivity, is an ideal system to study the interplay between electronic and lattice contributions to thermal transport. While the total electrical and thermal conductivity have been…

Materials Science · Physics 2016-07-12 Tae Yun Kim , Cheol-Hwan Park , Nicola Marzari

We have theoretically investigated the electronic and magnetic properties of graphene whose zigzag edges are oxidized. The alteration of these properties by adsorption of $\mathrm{H_{2}O}$ and $\mathrm{NH_3}$ molecules have been considered.…

Chemical Physics · Physics 2015-05-14 Julia Berashevich , Tapash Chakraborty

Tuning the charge carrier density of two-dimensional (2D) materials by incorporating dopants into the crystal lattice is a challenging task. An attractive alternative is the surface transfer doping by adsorption of molecules on 2D crystals,…

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