ing theory put into practice: First-principles modeling of trans- port in doped silicon wires”, Phys. Rev. Lett. 99 (7), 076803 (Aug. 2007), doi:10.1103/PhysRevLett.99.076803. 5 [31] C. Gomez-Navarro, P. J. de Pablo, J. Gomez-Herrero, B. Biel, F. J. Garcia-Vidal, A. Rubio, and F. Flores, “Tuning the con- ductance of single-walled carbon nanotubes by ion irradiation in the Anderson localization regime”, Nature Materials 4 , 534 (Jun. 2005), doi:10.1038/nmat1414. [30] M. Ushiro, K. Uno, T. Fujikawa, Y. Sato, K. Tohji, F. Watari, W.-J. Chun, Y. Koike, and K. Asakura, “X-ray absorption fine structure (XAFS) analyses of Ni species trapped in graphene sheet of carbon nanofibers”, Phys. Rev. B 73 (14), 144103 (Apr. 2006), doi:10.1103/PhysRevB.73.144103. [29] T. Markussen, R. Rurali, A.-P. Jauho, and M. Brandbyge, “Scal- [27] P. Atkins and J. de Paula, Physical Chemistry , 8th ed. (Oxford University Press, London, 2006). [28] D. Lide, Handbook of Chemistry and Physics , 87th ed. (CRC- Press, 2006–2007). [26] J. S. Griffith, The Theory of Transition-Metal Ions (Cambridge University Press, London, 1961). [25] J. M. Soler, E. Artacho, J. D. Gale, A. Garcia, J. Junquera, P. Or- dej´on, and D. S´anchez-Portal, “The SIESTA method for ab ini- tio order- n materials simulation”, J. Phys.: Condens. Matter 14 (11), 2745 (Mar. 2002), doi:10.1088/0953-8984/14/11/302. [24] M. Strange, I. S. Kristensen, K. S. Thygesen, and K. W. Ja- cobsen, “Benchmark density functional theory calculations for nanoscale conductance”, J. Chem. Phys. 128 (11), 114714 (Mar. 2008), doi:10.1063/1.2839275.