Branden B. Kappes1, Cristian V. Ciobanu2
CMC-Computers, Materials & Continua, Vol.38, No.1, pp. 1-16, 2013, DOI:10.3970/cmc.2013.038.001
Abstract Controlling the bandgap of carbon nanostructures is a key factor in the development of mainstream applications of carbon-based nanoelectronic devices. This is particularly important in the cases where it is desired that the carbon nanostructures are the active elements, as opposed to being the conductive leads between other elements of the device. Here, we report density functional theory calculations of the effect of silicon impurities on the electronic properties of carbon nanotubes (CNTs). We have found that Si adatoms can open up a bandgap in intrinsically metallic CNTs, even when the linear density of Si More >
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