PL EN


Preferences help
enabled [disable] Abstract
Number of results
2017 | 72 | 61-68
Article title

Nitrogen-doped pyrene as a catalyst for fuel cells

Authors
Content
Title variants
Languages of publication
EN
Abstracts
EN
Density functional theory (DFT) was applied to study nitrogen-doped pyrene as an oxygen reduction reaction (ORR) cathode catalyst for fuel cells. Transition states and energy barriers were calculated to predict the catalytic properties of this substance.
Year
Volume
72
Pages
61-68
Physical description
Contributors
author
References
  • [1] W. Xiong, F. Du, Y. Liu, A. Perez, M. Supp, T. S. Ramakrishnan, L. M. Dai, L. Jiang, Journal of the American Chemical Society 132(45) (2010) 15839-15841.
  • [2] J. Snyder, T. Fujita, M. W. Chen, J. Eelebancher, Nature Materials 9 (2010) 904-907.
  • [3] J. Surygała, Wodór jako paliwo, Wydawnictwa Naukowo Techniczne, Warszawa (2008).
  • [4] C. Wang, H. Daimon, T. Onodera, T. Kode, S. H. Sun, Angewandte Chemie 120(19) (2008) 3588-3591.
  • [5] K. P. Gong, F. Du, Z. H. Xia, M. Durstock, L. M. Dai, Science 323(5915) (2009) 760-764.
  • [6] W. Yang, T. P. Fellinger, M. Antonietti, Journal of the American Chemical Society 133(2) (2011) 206-209.
  • [7] L. Qu, Y. Liu, J.-B. Baek, L. Dai, CS Nano 4(3) (2010) 1321-1326.
  • [8] R. G. Parr, W. Yang, Density functional theory of atoms and molecules Oxford University Press, New York (1976).
  • [9] D. Becke, Journal of Chemical Physics 98 (1993) 5648-5652.
  • [10] S. H. Vosko, I. Wilk, M. Nusiar, Canadian Journal of Physics 58(8) (1980) 1200-1211.
  • [11] C. Lee, W. Yang, R. G. Parr, Physical Review B 37 (1988) 785-789.
  • [12] T. H. Jr. Dunning, Journal of Chemical Physics 90 (1989) 1007-1023.
  • [13] M. J. Frisch, G. W. Trucks, H. B. Schlegel, G. E. Scuseria, M. A. Robb, J. R. Cheeseman, G. Scalmani, V. Barone, B. Mennucci, G. A. Petersson, H. Nakatsuji, M. Caricato, X. Li, H. P. Hratchian, A. F. Izmaylov, J. Bloino, G. Zheng, J. L. Sonnenberg, M. Hada, M. Ehara, K. Toyota, R. Fukuda, J. Hasegawa, M. Ishida, T. Nakajima, Y. Honda, O. Kitao, H. Nakai, T. Vreven, J. A. Jr Montgomery, J. E. Peralta, F. Ogliaro, M. Bearpark, J. J. Heyd, E. Brothers, K. N. Kudin, V. N. Staroverov, R. Kobayashi, J. Normand, K. Raghavachari, A. Rendell, J. C. Burant, S. S. Iyengar, J. Tomasi, M. Cossi, N. Rega, M. J. Millam, M. Klene, J. E. Knox, 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, R. L. Martin, K. Morokuma, V. G. Zakrzewski, G. A. Voth , P. Salvador, J. J. Dannenberg, S. Dapprich, A. D. Daniels, O. Farkas, J. B. Foresman , J.V. Ortiz, J. Cioslowski, D. J. Fox, GAUSSIAN 09 (Revision D.01), Gaussian Inc, Wallingford (2009).
  • [14] Ferber, M. (1990) The Ideology of The Merchant of Venice. English Literary Renaissance, Volume 20, Issue 3, pp. 431-464.
  • [15] B. Lim, M. J. P. Jiang, E. C. Cho, J. Tao, X. M. Lu, Y. M. Zhu, Y. N. Xia, Science 1(324) (2009) 1302-1305.
Document Type
article
Publication order reference
Identifiers
YADDA identifier
bwmeta1.element.psjd-27b0deea-32d3-41c9-895a-d6b7e4cc15c1
JavaScript is turned off in your web browser. Turn it on to take full advantage of this site, then refresh the page.