Charge transfer equilibria in ambient-exposed epitaxial graphene on (0001) 6 H-SiC

Charge transfer equilibria in ambient-exposed epitaxial graphene on (0001) 6 H-SiC

Date: June 5, 2012
Creator: Sidorov, Anton N.; Gaskill, D. Kurt.; Buongiorno Nardelli, Marco; Tedesco, Joseph L.; Myers-Ward, Rachel L.; Eddy, Charles R. et al
Description: This article discusses charge transfer equilibria in ambient-exposed epitaxial graphene on (0001) 6 H-SiC. Abstract: The transport properties of electronic materials have been long interpreted independently from both the underlying bulk-like behavior of the substrate or the influence of ambient gases. This is no longer the case for ultra-thin graphene whose properties are dominated by the interfaces between the active material and its surroundings. Here, the authors show that the graphene interactions with its environments are critical for the electrostatic and electrochemical equilibrium of the active device layers and their transport properties. Based on the prototypical case of epitaxial graphene on (0001) 6 H-SiC and using a combination of 'in-situ' thermoelectric power and resistance measurements and simulations from first principles, the authors demonstrate that the cooperative occurrence of an electrochemically mediated charge transfer from the graphene to air, combined with the peculiar electronic structure of the graphene/SiC interface, explains the wide variation of measured conductivity and charge carrier type found in prior reports.
Contributing Partner: UNT College of Arts and Sciences
Multiple coexisting intercalation structures of sodium in epitaxial graphene-SiC interfaces

Multiple coexisting intercalation structures of sodium in epitaxial graphene-SiC interfaces

Date: March 9, 2012
Creator: Sandin, Andreas; Jayasekera, Thushari; Rowe, J.E.; Kim, Ki Wook; Buongiorno Nardelli, Marco & Dougherty, Daniel B.
Description: In this article, the authors show using scanning tunneling microscopy, spectroscopy, and ab initio calculations that two intercalation structures coexist for Na in epitaxial graphene on SiC(0001). Intercalation takes place at room temperature, and Na electron dopes the graphene. It inserts in between single-layer graphene and the interfacial layer and also penetrates beneath the interfacial layer and decouples it to form a second graphene layer. Decoupling is accelerated by annealing and is verified by Na deposition onto the interface layer combined with computational modeling of the two new decoupled buffer layer structures.
Contributing Partner: UNT College of Arts and Sciences
Phonon engineering in nanostructures: Controlling interfacial thermal resistance in multilayer-graphene/dielectric heterojunctions

Phonon engineering in nanostructures: Controlling interfacial thermal resistance in multilayer-graphene/dielectric heterojunctions

Date: September 13, 2012
Creator: Mao, R.; Kong, B.D.; Kim, K.W.; Jayasekera, T.; Calzolari, Arrigo & Buongiorno Nardelli, Marco
Description: This article discusses phonon engineering in nanostructures: Controlling interfacial thermal resistance in multilayer-graphene/dielectric heterojunctions. Using calculations from first principles and the Landauer approach for phonon transport, the authors study the Kapitza resistance in selected multilayer graphene/dielectric heterojunctions (hexagonal BN and wurtzite SiC) and demonstrate (i) the resistance variability (~50 - 700 x 10(-10) m2K/W) induced by vertical coupling, dimensionality, and atomistic structure of the system and (ii) the ability of understanding the intensity of the thermal transmittance in terms of the phonon distribution at the interface. The authors results pave the way to the fundamental understanding of active phonon engineering by microscopic geometry design.
Contributing Partner: UNT College of Arts and Sciences
Electronic properties of the graphene/6H-SiC(0001̅ ) interface: A first-principles study

Electronic properties of the graphene/6H-SiC(0001̅ ) interface: A first-principles study

Date: July 27, 2011
Creator: Jayasekera, Thushari; Xu, Shu; Kim, Ki Wook & Buongiorno Nardelli, Marco
Description: This article discusses electronic properties of the graphene/6H-SiC(0001̅) interface. Abstract: Using calculations from first principles, we show how the structural and electronic properties of epitaxial graphene on 6H-SiC(0001̅) are determined by the geometry and the chemical functionalization of the interface region. We also demonstrate that these properties can be correctly captured only if a proper treatment of the van der Waals interactions is included in the theoretical description based on density functional theory. Our results reproduce the experimentally observed n-type doping of monolayer epitaxial graphene and prove the possibility of opening a sizable (150 meV) energy gap in the bilayer case under special growth conditions. Depending on the details of the bonding at the interface, the authors are able to interpret recent experimental observations and provide a clear insight into the mechanisms of charge transfer and interface stability.
Contributing Partner: UNT College of Arts and Sciences
Biocompatible Graphene-based Growth of Cancer Cells: A Work in Progress

Biocompatible Graphene-based Growth of Cancer Cells: A Work in Progress

Date: April 19, 2012
Creator: Parks, Melissa & Verrill, Diane
Description: This poster discusses research on the biocompatible graphene-based growth of cancer cells. Graphene is made of a single layer of carbon atoms. Recently is has been used to successfully differentiate stem cells in neural cells. The authors experiment using cancerous cells from human patients in place of neural stem cells.
Contributing Partner: UNT Honors College
Unexpected Structures for Intercalation of Sodium in Epitaxial Graphene-SiC Interfaces

Unexpected Structures for Intercalation of Sodium in Epitaxial Graphene-SiC Interfaces

Date: February 2012
Creator: Sandin, Andreas; Jayasekera, Thushari; Rowe, J.E.; Kim, Ki Wook; Buongiorno Nardelli, Marco & Dougherty, Daniel B.
Description: In this paper, the authors show using scanning tunneling microscopy, spectroscopy, and ab initio calculations that several intercalation structures exist for Na in epitaxial graphene on SiC(0001). Intercalation takes place at room temperature and Na electron-dopes the graphene. It intercalates in-between single-layer graphene and the carbon-rich interfacial layer. It also penetrates beneath the interfacial layer and decouples it to form a second graphene layer. This decoupling is accelerated by annealing and is verified by direct Na deposition onto the interface layer. The authors' observations show that intercalation in graphene is fundamentally different than in graphite and is a versatile means of electronic control.
Contributing Partner: UNT College of Arts and Sciences
On the mechanism for plasma hydrogenation of graphene

On the mechanism for plasma hydrogenation of graphene

Date: December 6, 2010
Creator: Jones, Jason D.; Hoffmann, William D.; Jesseph, Aaron V.; Morris, Christopher; Verbeck, Guido F. & Pérez, José M.
Description: In this article, the authors report that hydrogenation of mono-, bi-, and trilayer graphene samples via exposure to H2 plasma occurs as a result of electron irradiation of H2O adsorbates on the samples, rather than H species in the plasma as reported by [Elias et al., Science 323, 610 (2009)]. The authors propose that the hydrogenation mechanism is electron-impact fragmentation of H2O adsorbates into H+ ions. At incident electron energies >60 eV, the authors observe hydrogenation that is significantly more stable at temperatures >200 ºC than previously reported.
Contributing Partner: UNT College of Arts and Sciences