Graphdiyne as a promising substrate for stabilizing Pt nanoparticle catalyst

Carbon

Volumn 86, Issue , 2015, Pages 301-309

  Lin, Zheng Zhe ^a  

^a XIDIAN UNIVERSITY   (China)

Author keywords

[No Author keywords available]

Indexed keywords

ABSTRACTING; ADSORPTION; AMORPHOUS CARBON; CALCULATIONS; ELECTROLYTIC REDUCTION; FUEL CELLS; GRAPHENE; METAL NANOPARTICLES; MOLECULAR DYNAMICS; MONTE CARLO METHODS; REACTION KINETICS;

ADSORPTION ABILITY; ADSORPTION ENERGIES; AMORPHOUS CARBON MATRIX; CHEMICAL ACTIVITIES; GEOMETRY OPTIMIZATION; METROPOLIS MONTE CARLO SIMULATIONS; MINIMUM ENERGY PATHS; MOLECULAR DYNAMICS SIMULATIONS;

NANOCATALYSTS;

EID: 84924596486     PISSN: 00086223     EISSN: None     Source Type: Journal    
DOI: 10.1016/j.carbon.2015.02.014     Document Type: Article

References (29)

1. Y. Shao-Horn, W.C. Sheng, S. Chen, P.J. Ferreira, E.F. Holby, and D. Morgan Instability of supported platinum nanoparticles in low-temperature fuel cells Top Catal 46 2007 285 305
2. V.R. Stamenkovic, B.S. Mun, M. Arenz, K.J.J. Mayphofer, C.A. Lucas, and G. Wang et al. Trends in electrocatalysis on extended and nanoscale pt-bimetallic alloy surfaces Nat Mater 6 2007 241 247
3. C. Wang, D. van der Vliet, K.L. More, N.J. Zaluzec, S. Peng, and S. Sun et al. Multimetallic Au/FePt3 nanoparticles as highly durable electrocatalyst Nano Lett 11 2011 919 926
4. S.C. Shin, A. Yoshimura, T. Matsuo, M. Mori, M. Tanimura, and A. Ishihara et al. Carbon nanowalls as platinum support for fuel cells J Appl Phys 110 2011 104308
5. M. Zhou, A. Zhang, Z. Dai, C. Zhang, and Y.P. Feng Greatly enhanced adsorption and catalytic activity of au and pt clusters on defective graphene J Chem Phys 132 2010 194704
6. 2 and sp atoms J Chem Phys 87 1987 6687 6699
7. N. Narita, S. Nagai, S. Suzuki, and K. Nakao Electronic structure of three-dimensional graphyne Phys Rev B 62 2000 11146 11551
8. G. Li, Y. Li, H. Liu, Y. Guo, Y. Lia, and D. Zhua Architecture of graphdiyne nanoscale films Chem Commun 46 2010 3256 3258
9. M.M. Haley Synthesis and properties of annulenic subunits of graphyne and graphdiyne nanoarchitecture Pure Appl Chem 80 2008 519 532
10. H. Du, Z. Deng, Z. Lü, Y. Yin, L. Yu, and H. Wu et al. The effect of graphdiyne doping on the performance of polymer solar cells Synth Met 161 2011 2055 2057
11. X. Qian, Z. Ning, Y. Li, H. Liu, C. Ouyang, and Q. Chen et al. Construction of graphdiyne nanowires with high-conductivity and mobility Dalton Trans 41 2012 730 733
12. M. Long, L. Tang, D. Wang, Y. Li, and Z. Shuai Electronic structure and carrier mobility in graphdiyne sheet and nanoribbons: theoretical predictions ACS Nano 5 2011 2593 2600
13. K. Srinivasu, and S.K. Ghosh Graphyne and graphdiyne: promising materials for nanoelectronics and energy storage applications J Phys Chem C 116 2012 5951 5956
14. Y. Yang, and X. Xu Mechanical properties of graphyne and its family-A molecular dynamics investigation Comput Mater Sci 61 2012 83 88
15. A.C.T. van Duin, S. Dasgupta, F. Lorant, and W.A. Goddard ReaxFF: a reactive force field for hydrocarbons J Phys Chem A 105 2001 9396 9409
16. A.C.T. van Duin, A. Strachan, S. Stewman, Q. Zhang, X. Xu, and W.A. Goddard ReaxFFSiO reactive force field for silicon and silicon oxide systems J Phys Chem A 107 2003 3803 3811
17. K.D. Nielson, A.C.T. van Duin, J. Oxgaard, W.-Q. Deng, and W.A. Goddard Development of the ReaxFF reactive force field for describing transition metal catalyzed reactions, with application to the initial stages of the catalytic formation of carbon nanotubes J Phys Chem A 109 2005 493 499
18. C.F. Sanz-Navarro, P.-O. Åstrand, D. Chen, M. Rønning, A.C.T. van Duin, and T. Jacob et al. Molecular dynamics simulations of the interactions between platinum clusters and carbon platelets J Phys Chem A 112 2008 1392 1402
19. E.A.J.M. Soler, J.D. Gale, A. García, J. Junquera, P. Ordejón, and D. Sánchez-Portal The SIESTA method for ab initio order-N materials simulation J Phys: Condens Matter 14 2002 2745 2779
20. N. Troullier, and J.L. Martins Efficient pseudopotentials for plane-wave calculations Phys Rev B 43 1991 1993 2003
21. J.P. Perdew, K. Burke, and M. Ernzerhof Generalized gradient approximation made simple Phys Rev Lett 77 1996 3865 3868
22. Y. Wang, J. Zhuang, and X.-J. Ning Global optimization method for cluster structures Phys Rev E 78 2008 026708
23. J. Gao, Z.-Z. Lin, and X.-J. Ning Isomers of C36 and free energy criteria for cluster growth J Chem Phys 126 2007 174309
24. 2 dissociative adsorption: evaluation of free energy barriers in multidimensional quantum systems Phys Rev Lett 72 1994 1124 1127
25. G. Mills, H. Jónsson, and G.K. Schenter Reversible work transition state theory: application to dissociative adsorption of hydrogen Surf Sci 324 1995 305 337
26. G. Henkelman, B.P. Uberuaga, and H. Jónsson A climbing image nudged elastic band method for finding saddle points and minimum energy paths J Chem Phys 113 2000 9901 9904
27. K. Okazaki-Maeda, Y. Morikawa, S. Tanaka, and M. Kohyama Structures of Pt clusters on graphene by first-principles calculations Surf Sci 604 2010 144 154
28. B.C.H. Steele, and A. Heinzel Materials for fuel-cell technologies Nature 414 2001 345 352
29. M.K. Debe Electrocatalyst approaches and challenges for automotive fuel cells Nature 486 2012 43 51