Abstract
The integrated mechanism of the catalytic oxidation of NO by N2O on the metal-free support of nitrogen doped graphene (NG) is investigated using density function theory calculations. The results indicate that the N2O can be intensively adsorbed on NG support, while the NO, N2, NO2 are all weakly adsorbed. In the oxidation process, a two-step mechanism is identified: the dissociation of N2O followed by the oxidation of NO with the dissociative O-atom. The present work suggests that the NG support, as a high-efficient and metal-free catalyst, is one of the promising candidates for removing the nitrogen oxides gases exhaust.
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Chen Y, Liu Y-J, Wang H-X, Zhao J-X, Cai Q, Wang X-Z, Ding Y (2013) ACS Appl Mater Interfaces 5:5994
Després J, Elsener M, Koebel M, Kröcher O, Schnyder B, Wokaun A (2004) Appl Catal B 50:73
Parvulescu V, Grange P, Delmon B (1998) Catal Today 46:233
Ravishankara A, Daniel JS, Portmann RW (2009) Science 326:123
Qi G, Yang RT (2003) Appl Catal B 44:217
Qi G, Yang RT, Chang R (2004) Appl Catal B 51:93
Topsoe N, Topsoe H, Dumesic J (1995) J Catal 151:226
Koebel M, Elsener M, Kleemann M (2000) Catal Today 59:335
Bambauer A, Brantner B, Paige M, Novakov T (1994) Atmos Environ 28:3225
Chan WH, Nordstrom RJ, Calvert JG, Shaw JH (1976) Sci Technol 10:674
Mochida I, Kawabuchi Y, Kawano S, Matsumura Y, Yoshikawa M (1997) Fuel 76:543
Philips DA, Dasgupta PK (1987) Sep Sci Technol 22:1255
Ovesson S, Lundqvist B, Schneider W, Bogicevic A (2005) Phys Rev B 71:115406
Sousa JP, Pereira MF, Figueiredo JL (2011) Catal Today 176:383
Xu Q-Q, Yang H-Q, Gao C, Hu C-W (2013) Struct Chem 24:13
Yang H, Liu H, Zhou K, Yan Z-Q, Zhao R, Liu Z-H, Liu Z-H, Qiu J-R (2012) J Fuel Chem Technol 40:1002
Yakovlev AL, Zhidomirov GM, van Santen RA (2001) Catal Lett 75:45
Zhao X, Cong Y, Lv F, Li L, Wang X, Zhang T (2010) Chem Commun 46:3028
Lv Y-A, Zhuang G-L, Wang J-G, Jia Y-B, Xie Q (2011) Phys Chem Chem Phys 13:12472
Wang B, Pantelides S (2011) Phys Rev B 83:245403
Zhao J-X, Chen Y, Fu H-G (2012) Theor Chem Acc 131:1
Groves M, Chan A, Malardier-Jugroot C, Jugroot M (2009) Chem Phys Lett 481:214
Zhang L, Xia Z (2011) J Phys Chem C 115:11170
Shao Y, Zhang S, Engelhard MH, Li G, Shao G, Wang Y, Liu J, Aksay IA, Lin Y (2010) J Mater Chem 20:7491
Kresse G, Furthmüller J (1996) Comput Mater Sci 6:15
Kresse G, Joubert D (1999) Phys Rev B 59:1758
Perdew JP, Burke K, Ernzerhof M (1996) Phys Rev Lett 77:3865
Henkelman G, Jónsson H (2000) J Chem Phys 113:9978
Henkelman G, Uberuaga BP, Jónsson H (2000) J Chem Phys 113:9901
Zhu T, Li J, Yip S (2004) Phys Rev Lett 93:025503
Kocher N, Henn J, Gostevskii B, Kost D, Kalikhman I, Engels B, Stalke D (2004) J Am Chem Soc 126:5563
Momma K, Izumi F (2008) J Appl Crystallogr 41:653
Chao S, Lu Z, Bai Z, Cui Q, Qiao J, Yang Z, Yang L (2013) Int J Electrochem Sci 8:8786
Feng Y, Li F, Hu Z, Luo X, Zhang L, Zhou X-F, Wang H-T, Xu J-J, Wang E (2012) Phys Rev B 85:155454
Ni S, Li Z, Yang J (2012) Nanoscale 4:1184
Girit ÇÖ, Meyer JC, Erni R, Rossell MD, Kisielowski C, Yang L, Park C-H, Crommie M, Cohen ML, Louie SG (2009) Science 323:1705
Pedersen TG, Flindt C, Pedersen J, Mortensen NA, Jauho A-P, Pedersen K (2008) Phys Rev Lett 100:136804
Reich S, Maultzsch J, Thomsen C, Ordejon P (2002) Phys Rev B 66:035412
Dai J, Yuan J, Giannozzi P (2009) Appl Phys Lett 95:232105
Klimeš J, Bowler R, Michaelides A (2011) Phys Rev B 83:195131
Wannakao S, Nongnual T, Khongpracha P, Maihom T, Limtrakul J (2012) J Phys Chem C 116:16992
Song E, Wen Z, Jiang Q (2011) J Phys Chem C 115:3678
Acknowledgments
This work is supported by the National Natural Science Foundation of China (Grant No. 11174070 and 11147006). Z. Lu also acknowledges the support from the China Postdoctoral Science Foundation funded project (Grant No. 2012M521399) and Postdoctoral Research sponsorship in Henan Province (Grant No. 2011038), Foundation for the Key Young Teachers of Henan Normal University and Start-up Foundation for Doctors of Henan Normal University. Parts of the simulations are performed on resources provided by the high-performance computing center of College of Physics and Electronic Engineering in Henan Normal University.
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Zhang, X., Lu, Z., Tang, Y. et al. Depletion NO x Made Easy by Nitrogen Doped Graphene. Catal Lett 144, 1016–1022 (2014). https://doi.org/10.1007/s10562-014-1232-6
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DOI: https://doi.org/10.1007/s10562-014-1232-6