Fully relaxed structures and optimized ZT values of CNTs. Top view of the fully relaxed structures for (a) Si-doped (10,0) tube with nominal formula of C119Si and (b) the (10,0) tube chemisorbed with hydrogen atoms having nominal formula of C40H2. (c) Plots of the optimized ZT value as a function of temperature for theC119Si and C40H2 products, and the results for the pristine (10,0) tube is also shown for comparison.
Tan et al. Nanoscale Research Letters 2012 7:116 doi:10.1186/1556-276X-7-116