Chapter 7: Computational design of chemical nanosensors: Transition metal doped single-walled carbon nanotubes

∗Nano-Bio Spectroscopy Group and ETSF Scientific Development Centre, Depto. Fı́sica de Materiales, Universidad del Paı́s Vasco and DIPC, Avenida de Tolosa 72, E-20018 San Sebastián, Spain; Phone:+34 943 01 8288 Fax:+34 943 01 8390 E-mail: duncan.mowbray@gmail.com †Nano-Bio Spectroscopy Group and ETSF Scientific Development Centre, Depto. Fı́sica de Materiales, Universidad del Paı́s Vasco, Centro de Fı́sica de Materiales CSIC-UPV/EHUMPC and DIPC, Av. Tolosa 72, E-20018 San Sebastián, Spain; Center for Atomic-scale Materials Design, Department of Physics, Technical University of Denmark, DK-2800 Kgs. Lyngby, Denmark; Phone:+45 4525 3209 Fax:+45 4593 2399 E-mail: jumagala@fysik.dtu.dk ‡Nano-Bio Spectroscopy Group and ETSF Scientific Development Centre, Depto. Fı́sica de Materiales, Universidad del Paı́s Vasco and DIPC, Avenida de Tolosa 72, E-20018 San Sebastián, Spain; E-mail: ilarrazaarocena@gmail.com §Nano-Bio Spectroscopy Group and ETSF Scientific Development Centre, Depto. Fı́sica de Materiales, Universidad del Paı́s Vasco, Centro de Fı́sica de Materiales CSIC-UPV/EHUMPC and DIPC, Avenida de Tolosa 72, E-20018 San Sebastián, Spain; Phone:+34 943 01 8292 Fax:+34 943 01 8390 E-mail: angel.rubio@ehu.es ¶Center for Atomic-scale Materials Design, Department of Physics, Technical University of Denmark, DK-2800 Kgs. Lyngby, Denmark; Phone:+45 4525 3188 Fax:+45 4593 2399 E-mail: thygesen@fysik.dtu.dk ‖Center for Atomic-scale Materials Design, Department of Physics, Technical University of Denmark, DK-2800 Kgs. Lyngby, Denmark; Phone:+45 4525 3186 Fax:+45 4593 2399 E-mail: kwj@fysik.dtu.dk