title: Band engineering of oxygen doped single-walled carbon nanotubes.
abstract: 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 π-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.
authors.affiliation: Department of Chemistry and Center for Functional Nanoscale Materials, Clark Atlanta University, Atlanta, Georgia 30314, USA.
authors.forename: Kelvin
authors.initials: K
authors.lastname: Suggs
authors.forename: Vernecia
authors.initials: V
authors.lastname: Person
authors.forename: Xiao-Qian
authors.initials: XQ
authors.lastname: Wang