The formate and redox mechanisms of water-gas shift reaction on the surface of Ag: A nanocluster model based on DFT study
Subject Areas : Iranian Journal of CatalysisDarioush Sharafie 1 , Ali Arab 2 , Mostafa Fazli 3
1 - Department of Chemistry, Semnan University, Semnan, Iran.
2 - Department of Chemistry, Semnan University, Semnan, Iran.
3 - Department of Chemistry, Semnan University, Semnan, Iran.
Keywords:
Abstract :
[1] J. Yu, F.J. Tian, M.C. Chow, L.J. McKenzie, C.Z. Li, Fuel. 85 (2006) 127-133.
[2] A.Y. Rozovskii, G.I. Lin, Top. Catal. 22 (2003) 137-150.
[3] S.H.D. Lee, D.V. Applegate, S. Ahmed, S.G. Calderone, T.L. Harvey, Int. J. Hydrogen Energ. 30 (2005) 829-842.
[4] D.S. Newsome, Catal. Rev. Sci. Eng. 21 (1980) 275-318.
[5] J. Sehested, Catal. Today 111 (2006) 103-110.
[6] D.W. Goodman, R.D. Kelley, T.E. Madey, J.T. Yates, J. Catal. 63 (1980) 226-234.
[7] J. Nakamura, J.M. Campbell, C.T. Campbell, J. Chem. Soc. Faraday Trans. 86 (1990) 2725-2734.
[8] C. Callaghan, I. Fishtik, R. Datta, M. Carpenter, M. Chmielewski, A. Lugo, Surf. Sci. 541 (2003) 21-30.
[9] I. Fishtik, R. Datta, Surf. Sci. 512 (2002) 229-254.
[10] G.C. Wang, L. Jiang, Z.S. Cai, Y.M. Pan, X.Z. Zhao, W. Huang, K.C. Xie, Y.W. Li, Y.H. Sun, B. Zhong, J. Phys. Chem. B 107 (2003) 557-562.
[11] Z.J. Zhao, Z. Li, Y. Cui, H. Zhu, W.F. Schneider, W.N. Delgass, F. Ribeiro, J. Greeley, J. Catal. 345 (2017) 157-169.
[12] R.C. Catapan, A.A. Oliveira, Y. Chen, D.G. Vlachos, J. Phys. Chem. C 116 (2012) 20281-20291.
[13] C. Ratnasamy, J.P. Wagner, Catal. Rev. 51 (2009) 325-440.
[14] C.H. Lin, C.L. Chen, J.H. Wang, J. Phys. Chem. C 115 (2011) 18582-18588.
[15] A. Arab, D. Sharafie, M. Fazli, J. Phys. Chem. Solids 109 (2017) 100-108.
[16] R.J. Lin, H.L. Chen, S.P. Ju, F.Y. Li, H.T. Chen, J. Phys. Chem. C 116 (2012) 336-342.
[17] S.K. Wu, R.J. Lin, S. Jang, H.L. Chen, S.M. Wang, F.Y. Li, J. Phys. Chem. C 118 (2014) 298-309.
[18] X. Lian, W. Guo, J. Shu, X. Zhang, Z. Liu, Y, Zhang, R. Liu, Theor. Chem. Acc. 134 (2015) 19.
[19] A. Arab, M. Habibzadeh, J. Nanostruct. Chem. 134 (2016) 111-119.
[20] A. Arab, M. Nahali, F. Gobal, J. Alloy Compd. 695 (2017) 1924-1929.
[21] A. Arab, M. Habibzadeh, Comput. Theor. Chem. 1068 (2015) 52-56.
[22] A.M. Shor, S.S. Laletina, E.A.I. Shor, V.A. Nasluzov, V.I. Bukhtiyarov, N. Rosch, Surf. Sci. 630 (2014) 265-272.
[23] M. Sowmiya, K. Senthilkumar, Appl. Surf. Sci. 389 (2016) 1220-1232.
[24] X. Wang, Z. Zhao, D. Ou, B. Tu, D. Cui, X. Wei, M. Cheng, Appl. Surf. Sci. 385 (2016) 445-452.
[25] A.A. Gokhale, J.A. Dumesic, M. Mavrikakis, J. Am. Chem. Soc. 130 (2008) 1402-1414.
[26] A.D. Becke, J. Chem. Phys. 98 (1993) 5648-52.
[27] P. Perdew, Y. Wang, Phys. Rev. B 45 (1992) 13244-13249.
[28] T. Yumura, T. Nanba, H. Torigoe, Y. Kuroda, H. Kobayashi, Inorg. Chem. 50 (2011) 6533-6542.
[29] T. Yumura, A. Oda, H. Torigoe, A. Itadani, Y. Kuroda, T. Wakasugi, H. Kobayashi, J. Phys. Chem. C. 118 (2014) 23874-23887.
[30] T. Yumura, M. Kumondai, Y. Kuroda, T. Wakasugi, H. Kobayashi, RSC Adv. 7 (2017) 4950-4959.
[31] S. Zhao, X. Tian, J. Liu, Y. Ren, J. Wang, Comput. Theor. Chem. 1055 (2015) 1-7.
[32] X. Xia, X. Kuang, C. Lu, Y. Jin, X. Xing, G. Merino, A. Hermann, J. Phys. Chem. A 120 (2016) 7947-7954.
[33] M.J. Frisch, G.W. Trucks, H.B. Schlegel, G.E. Scuseria, M.A. Robb, J.R. Cheeseman, J.A. Montgomery Jr., T. Vreven, K.N. Kudin, J.C. Burant, J.M. Millam, S.S. Iyengar, J. Tomasi, V. Barone, B. Mennucci, M. Cossi, G. Scalmani, N. Rega, G.A. Petersson, H. Nakatsuji, M. Hada, M. Ehara, K. Toyota, R. Fukuda, J. Hasegawa, M. Ishida, T. Nakajima, Y. Honda, O. Kitao, H. Nakai, M. Klene, X. Li, J.E. Knox, H.P. Hratchian, J.B. Cross, V. Bakken, C. Adamo, J. Jaramillo, R. Gomperts, R.E. Stratmann, O. Yazyev, A.J. Austin, R. Cammi, C. Pomelli, J.W. Ochterski, P.Y. Ayala, K. Morokuma, G.A. Voth, P. Salvador, J.J. Dannenberg, V.G. Zakrzewski, S. Dapprich, A.D. Daniels, M.C. Strain, O. Farkas, D.K. Malick, A.D. Rabuck, K. Raghavachari, J.B. Foresman, J.V. Ortiz, Q. Cui, A.G. Baboul, S. Clifford, J. Cioslowski, B.B. Stefanov, G. Liu, A. Liashenko, P. Piskorz, I. Komaromi, R.L. Martin, D.J. Fox, T. Keith, M.A. Al-Laham, C.Y. Peng, A. Nanayakkara, M. Challacombe, P.M. W. Gill, B. Johnson, W. Chen, M.W. Wong, C. Gonzalez, J.A. Pople, Gaussian 03, Revision B.03, Gaussian Inc., Pittsburgh, PA, 2003.
[34] X. Zhang, D. Meng, X. Li, L. Meng, Z. Sun, J. Organomet. Chem. 769 (2014) 106-111.
[35] Y. Yang, S. Hu, Y. Fang, H. Wei, S. Hu, D. Wang, L. Yang, H. Zhang, S. Luo, Polyhedron 95 (2015) 86-90.
[36] A. Lupan, R.B. King, Inorg. Chim. Acta. 397 (2013) 83-87.
[37] V.T. Cong, L.K. Huynh, J.C. Jiang, N.T.A. Nhung, P.V. Tat, Comput. Theor. Chem. 1081 (2016) 62-70.
[38] N. Liu, L. Guo, Z. Cao, A. Li, X. An, Prot. Met. Phys. Chem. Surf. 52 (2016) 387-398.
[39] Z. Xiao-feng, X. Ji-long, M. Yue, Q. Meng-dan, X. Sheng-jie, N. Zhe-ming, J. Fuel. Chem. Technol. 45 (2017) 1473-1480.
