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Title: Surface-Induced Hybridization between Graphene and Titanium

Abstract

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.

Authors:
 [1];  [2];  [3];  [4];  [4];  [1];  [2];  [4];  [3];  [4];  [4]
  1. MIT (Massachusetts Inst. of Technology), Cambridge, MA (United States).
  2. Technische Universitat, Chemnitz (Germany)
  3. Stanford Univ., CA (United States)
  4. MIT (Massachusetts Inst. of Technology), Cambridge, MA (United States)
Publication Date:
Research Org.:
Lawrence Livermore National Lab. (LLNL), Livermore, CA (United States)
Sponsoring Org.:
USDOE
OSTI Identifier:
1165809
DOE Contract Number:
DMR-0845358
Resource Type:
Journal Article
Resource Relation:
Journal Name: ACS Nano; Journal Volume: 8; Journal Issue: 8
Country of Publication:
United States
Language:
English
Subject:
36 MATERIALS SCIENCE; GRAPHENE; TITANIUM; RAMAN SPECTROSCOPY; CHEMICAL FUNCTIONALIZATION; DENSITY FUNCTIONAL THEORY; HYBRIDIZATION

Citation Formats

Hsu, Allen L., Koch, Roland J., Ong, Mitchell T., Fang, Wenjing, Hofmann, Mario, Kim, Ki Kang, Seyller, Thomas, Dresselhaus, Mildred S., Reed, Evan J., Kong, Jing, and Palacios, Tomás. Surface-Induced Hybridization between Graphene and Titanium. United States: N. p., 2014. Web. doi:10.1021/nn502842x.
Hsu, Allen L., Koch, Roland J., Ong, Mitchell T., Fang, Wenjing, Hofmann, Mario, Kim, Ki Kang, Seyller, Thomas, Dresselhaus, Mildred S., Reed, Evan J., Kong, Jing, & Palacios, Tomás. Surface-Induced Hybridization between Graphene and Titanium. United States. doi:10.1021/nn502842x.
Hsu, Allen L., Koch, Roland J., Ong, Mitchell T., Fang, Wenjing, Hofmann, Mario, Kim, Ki Kang, Seyller, Thomas, Dresselhaus, Mildred S., Reed, Evan J., Kong, Jing, and Palacios, Tomás. Tue . "Surface-Induced Hybridization between Graphene and Titanium". United States. doi:10.1021/nn502842x. https://www.osti.gov/servlets/purl/1165809.
@article{osti_1165809,
title = {Surface-Induced Hybridization between Graphene and Titanium},
author = {Hsu, Allen L. and Koch, Roland J. and Ong, Mitchell T. and Fang, Wenjing and Hofmann, Mario and Kim, Ki Kang and Seyller, Thomas and Dresselhaus, Mildred S. and Reed, Evan J. and Kong, Jing and Palacios, Tomás},
abstractNote = {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.},
doi = {10.1021/nn502842x},
journal = {ACS Nano},
number = 8,
volume = 8,
place = {United States},
year = {Tue Aug 26 00:00:00 EDT 2014},
month = {Tue Aug 26 00:00:00 EDT 2014}
}