Periodic DFT study of the deep oxidation in the oxidative dehydrogenation of ethane over V2O5 (001)

Chinese Journal of Catalysis - Tập 34 - Trang 906-910 - 2013
Guoliang DAI1, Zhenhua LI1, Wenning WANG1, Jing LIU2, Kangnian FAN1
1Shanghai Key Laboratory of Molecular Catalysis and Innovative Materials, Department of Chemistry, Fudan University, Shanghai 200433
2State Key Laboratory of Coal Combustion, Huazhong University of Science and Technology, Wuhan 430074, Hubei, China

Tài liệu tham khảo

Bettahar, 1996, Appl Catal A, 145, 1, 10.1016/0926-860X(96)00138-X Heracleous, 2005, J Mol Catal A, 232, 29, 10.1016/j.molcata.2005.01.027 Zhao, 2000, J Catal, 190, 215, 10.1006/jcat.1999.2740 Kung, 1994, Adv Catal, 40, 1, 10.1016/S0360-0564(08)60655-0 Mamedov, 1995, Appl Catal A, 127, 1, 10.1016/0926-860X(95)00056-9 Hong, 1994, Appl Catal A, 109, 117, 10.1016/0926-860X(94)85006-2 Chen, 2000, J Phys Chem B, 104, 1292, 10.1021/jp9933875 Xie, 2000, J Phys Chem B, 104, 10059, 10.1021/jp002419h Chen, 2001, J Phys Chem B, 105, 646, 10.1021/jp002100x Miki, 1996, Appl Catal A, 137, 93, 10.1016/0926-860X(95)00304-5 Rozanska, 2009, J Phys Chem A, 113, 11586, 10.1021/jp9005235 Argyle, 2002, J Phys Chem B, 106, 5421, 10.1021/jp0144552 Woods, 2009, J Phys Chem C, 113, 10112, 10.1021/jp810664u Mimura, 2006, J Phys Chem B, 110, 21764, 10.1021/jp061966l Chen, 2010, J Phys Chem C, 114, 4973, 10.1021/jp909163z Oyama, 1990, J Phys Chem, 94, 5029, 10.1021/j100375a049 Dai, 2008, J Phys Chem C, 112, 3719, 10.1021/jp075843s Junquera, 2001, Phys Rev B, 64, 235111, 10.1103/PhysRevB.64.235111 Troullier, 1991, Phys Rev B, 43, 1993, 10.1103/PhysRevB.43.1993 Perdew, 1996, Phys Rev Lett, 77, 3865, 10.1103/PhysRevLett.77.3865 Dai, 2012, J Phys Chem C, 116, 807, 10.1021/jp208639t Liu, 2004, J Am Chem Soc, 126, 10746, 10.1021/ja0481833 Liu, 2003, J Am Chem Soc, 125, 1958, 10.1021/ja0207551 Lin, 2000, Catal Today, 61, 223, 10.1016/S0920-5861(00)00387-4