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. 2013 Apr 10;2:151. doi: 10.1186/2193-1801-2-151

Figure 2.

Figure 2

Band gap as a function of the [100] silicon nanowire diameter for various surface terminations. (a) DFT calculations within GGA-PBE. (b) Results from a density-functional tightbinding (DFTB) parameterization.