Adsorption of pairs of NOx molecules on single-walled carbon nanotubes and formation of NO+NO3 from NO2

Geim, 2007, Nat. Mater., 6, 183, 10.1038/nmat1849 Wu, 2007, Chem. Rev., 107, 718, 10.1021/cr068010r Katsbelson, 2007, Mater. Today, 10, 20, 10.1016/S1369-7021(06)71788-6 Zhao, 2005, Current Nanosci., 1, 169, 10.2174/1573413054065312 Wang, 2009, J. Sensors, 2009, 493904, 10.1155/2009/493904 Kong, 2000, Science, 287, 622, 10.1126/science.287.5453.622 Collins, 2000, Science, 287, 1801, 10.1126/science.287.5459.1801 Valentini, 2003, Appl. Phys. Lett., 82, 961, 10.1063/1.1545166 Goldoni, 2003, J. Am. Chem. Soc., 125, 11329, 10.1021/ja034898e Ueda, 2008, Physica E, 40, 2272, 10.1016/j.physe.2007.12.006 Schedin, 2007, Nat. Mater., 6, 652, 10.1038/nmat1967 Helbling, 2008, Sensors Actuat. B, 132, 491, 10.1016/j.snb.2007.11.036 Bai, 2007, Carbon, 45, 2105, 10.1016/j.carbon.2007.05.019 Larciprete, 2007, J. Phys. Chem. C, 111, 12169, 10.1021/jp067673+ Wehling, 2008, Nano Lett., 8, 173, 10.1021/nl072364w Leenaerts, 2008, Phys. Rev. B, 77, 125416, 10.1103/PhysRevB.77.125416 Peng, 2004, Chem. Phys. Lett., 387, 271, 10.1016/j.cplett.2004.02.026 Chang, 2001, Appl. Phys. Lett., 79, 3863, 10.1063/1.1424069 Zhao, 2002, Nanotechnology, 13, 195, 10.1088/0957-4484/13/2/312 Yim, 2003, J. Phys. Chem. B, 107, 9363, 10.1021/jp027647l Ricca, 2006, Chem. Phys., 323, 511, 10.1016/j.chemphys.2005.10.019 Giannozzi, 2003, J. Chem. Phys., 118, 1003, 10.1063/1.1536636 Liu, 2006, Phys. Rev. B, 73, 113405, 10.1103/PhysRevB.73.113405 Mercuri, 2005, J. Phys. Chem. B, 109, 13175, 10.1021/jp0507290 Fürst, 2008, Phys. Rev. B, 78, 195405, 10.1103/PhysRevB.78.195405 P. Giannozzi et al., J. Phys.: Condens. Matter 21 (2009) 395502. URL: <www.quantum-espresso.org>. Perdew, 1996, Phys. Rev. Lett., 77, 3865, 10.1103/PhysRevLett.77.3865 C.pbe-van_bm.UPF, N.pbe-van_bm.UPF, O.pbe-van_bm.UPF from the Quantum ESPRESSO distribution (<http://www.quantum-espresso.org>). Monkhorst, 1976, Phys. Rev. B, 13, 5188, 10.1103/PhysRevB.13.5188 Methfessel, 1989, Phys. Rev. B, 40, 3616, 10.1103/PhysRevB.40.3616 Blöchl, 1994, Phys. Rev. B, 49, 16223, 10.1103/PhysRevB.49.16223 Perdew, 1991, Phys. Rev. B, 45, 13244, 10.1103/PhysRevB.45.13244 Becke, 1988, Phys. Rev. A, 38, 3098, 10.1103/PhysRevA.38.3098 Lee, 1988, Phys. Rev. B, 37, 785, 10.1103/PhysRevB.37.785