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Surface-Induced Hybridization between Graphene and Titanium

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† Department of Electrical Engineering and Computer Sciences, Massachusetts Institute of Technology, Cambridge, Massachusetts 02139, United States
‡ Institut für Physik, Technische Universität Chemnitz, 09126 Chemnitz, Germany
§ Department of Materials Science and Engineering, Stanford University, Stanford, California 94305, United States
∥ Condensed Matter and Materials Division, Physical and Life Sciences Directorate, Lawrence Livermore National Laboratory, Livermore, California 94550, United States
⊥ Department of Energy and Materials Engineering, Dongguk University, Seoul 100-715, Republic of Korea
# Department of Physics, Massachusetts Institute of Technology, Cambridge, Massachusetts 02139, United States
*Address correspondence to [email protected]
Cite this: ACS Nano 2014, 8, 8, 7704–7713
Publication Date (Web):July 17, 2014
https://doi.org/10.1021/nn502842x
Copyright © 2014 American Chemical Society
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Abstract

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Carbon-based materials such as graphene sheets and carbon nanotubes have inspired a broad range of applications ranging from high-speed flexible electronics all the way to ultrastrong membranes. However, many of these applications are limited by the complex interactions between carbon-based materials and metals. In this work, we experimentally investigate the structural interactions between graphene and transition metals such as palladium (Pd) and titanium (Ti), which have been confirmed by density functional simulations. We find that the adsorption of titanium on graphene is more energetically favorable than in the case of most metals, and density functional theory shows that a surface induced p–d hybridization occurs between atomic carbon and titanium orbitals. This strong affinity between the two materials results in a short-range ordered crystalline deposition on top of graphene as well as chemical modifications to graphene as seen by Raman and X-ray photoemission spectroscopy (XPS). This induced hybridization is interface-specific and has major consequences for contacting graphene–nanoelectronic devices as well as applications toward metal-induced chemical functionalization of graphene.

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Additional information with regard to the calculation of adhesion energy, Raman spectra of titanium + QFMLG and various deposition conditions, HR-TEM of titanium lattice constant, Ni and Au SAED, and van der Waals corrections. This material is available free of charge via the Internet at http://pubs.acs.org.

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