期刊
NANOSCALE
卷 3, 期 6, 页码 2465-2468出版社
ROYAL SOC CHEMISTRY
DOI: 10.1039/c1nr10180c
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资金
- National Science Foundation [DMR-0934142]
- Army Research Office [W911NF-06-1-0442]
- Air Force Office of Scientific Research [FA9550-10-1-0254]
We have studied the electronic characteristics of chemically modified single-walled carbon nanotubes by oxygen doping using first-principles density-functional calculations. The oxygen doping, a controlled [2 + 1] cycloaddition scheme, is shown to modify the p-conjugation and impact on the near-infrared band gaps. The implications of tailoring the electronic structure of oxygen doped carbon nanomaterials for future device applications are discussed.
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