Metal-free graphitic carbon nitride as mechano-catalyst for hydrogen evolution reaction

Journal of Catalysis

Volumn 332, Issue , 2015, Pages 149-155

  Gao, Guoping ^a   Jiao, Yan ^b   Ma, Fengxian ^a   Jiao, Yalong ^a   Waclawik, Eric ^a   Du, Aijun ^a  

^a QUEENSLAND UNIVERSITY OF TECHNOLOGY   (Australia)

^b UNIVERSITY OF ADELAIDE   (Australia)

Author keywords

Binding free energy of hydrogen; Density functional theory; Formation energy; Si doping

Indexed keywords

ATOMS; BINDING ENERGY; BINS; CARBON NITRIDE; CATALYSTS; DOPING (ADDITIVES); FREE ENERGY; GRAPHENE; HYDROGEN; NITRIDES;

BINDING FREE ENERGY; CATALYTIC MECHANISMS; FORMATION ENERGIES; GRAPHITIC CARBON NITRIDES; HYDROGEN EVOLUTION REACTIONS; METAL-FREE CATALYSTS; RESEARCH INTERESTS; SI-DOPING;

DENSITY FUNCTIONAL THEORY;

EID: 84946023504     PISSN: 00219517     EISSN: 10902694     Source Type: Journal    
DOI: 10.1016/j.jcat.2015.10.006     Document Type: Article

References (31)

1. N. Armaroli, V. Balzani, Energy for a Sustainable World, 2011.
2. M.G. Walter, E.L. Warren, J.R. McKone, S.W. Boettcher, Q. Mi, E.A. Santori, and N.S. Lewis Solar water splitting cells Chem. Rev. 110 2010 6446 6473
3. S. Dunn Hydrogen futures: toward a sustainable energy system Int. J. Hydrogen Energy 27 2002 235 264
4. K. Maeda, and K. Domen Photocatalytic water splitting: recent progress and future challenges J. Phys. Chem. Lett. 1 2010 2655 2661
5. X. Wang, K. Maeda, A. Thomas, K. Takanabe, G. Xin, J.M. Carlsson, K. Domen, and M. Antonietti A metal-free polymeric photocatalyst for hydrogen production from water under visible light Nat. Mater. 8 2009 76 80
6. J. Zhang, M. Zhang, S. Lin, X. Fu, and X. Wang Molecular doping of carbon nitride photocatalysts with tunable bandgap and enhanced activity J. Catal. 310 2014 24 30
7. 4-based photocatalysts for hydrogen generation J. Phys. Chem. Lett. 5 2014 2101 2107
8. Y. Jiao, Y. Zheng, M. Jaroniec, and S.Z. Qiao Design of electrocatalysts for oxygen-and hydrogen-involving energy conversion reactions Chem. Soc. Rev. 44 2015 2060 2086
9. 4 Bilayer: enhanced by interlayer coupling J. Phys. Chem. Lett. 3 2012 3330 3334
10. 4 "Seaweed" architecture for enhanced hydrogen evolution Angew. Chem. Int. Ed. 2015 10.1002/anie.201504985
11. Y. Zhang, T. Mori, L. Niu, and J. Ye Non-covalent doping of graphitic carbon nitride polymer with graphene: controlled electronic structure and enhanced optoelectronic conversion Energy. Environ. Sci. 4 2011 4517 4521
12. 4 via doping of nonmetal elements: a first-principles study J. Phys. Chem. C 116 2012 23485 23493
13. 4 J. Am. Chem. Soc. 132 2010 11642 11648
14. Y. Zhang, T. Mori, J. Ye, and M. Antonietti Phosphorus-doped carbon nitride solid: enhanced electrical conductivity and photocurrent generation J. Am. Chem. Soc. 132 2010 6294 6295
15. A. Du, S. Sanvito, Z. Li, D. Wang, Y. Jiao, T. Liao, Q. Sun, Y.H. Ng, Z. Zhu, and R. Amal Hybrid graphene and graphitic carbon nitride nanocomposite: gap opening, electron-hole puddle, interfacial charge transfer, and enhanced visible light response J. Am. Chem. Soc. 134 2012 4393 4397
16. J. Liu, Y. Liu, N. Liu, Y. Han, X. Zhang, H. Huang, Y. Lifshitz, S.-T. Lee, J. Zhong, and Z. Kang Metal-free efficient photocatalyst for stable visible water splitting via a two-electron pathway Science 347 2015 970 974
17. 2 edge-site activity for hydrogen evolution via support interactions Nano Lett. 14 2014 1381 1387
18. Y. Zheng, Y. Jiao, Y. Zhu, L.H. Li, Y. Han, Y. Chen, A. Du, M. Jaroniec, and S.Z. Qiao Hydrogen evolution by a metal-free electrocatalyst Nat. Commun. 5 2014 3783
19. S.M. Aspera, M. David, and H. Kasai First-principles study of the adsorption of water on tri-s-triazine-based graphitic carbon nitride Jpn. J. Appl. Phys. 49 2010 115703
20. H.-Z. Wu, L.-M. Liu, and S.-J. Zhao The effect of water on the structural, electronic and photocatalytic properties of graphitic carbon nitride Phys. Chem. Chem. Phys. 16 2014 3299 3304
21. G. Wu, Y. Hu, Y. Liu, J. Zhao, X. Chen, V. Whoehling, C. Plesse, G.T.M. Nguyen, F. Vidal, and W. Chen Graphitic carbon nitride nanosheet electrode-based high-performance ionic actuator Nat. Commun. 6 2015 7258
22. 4-graphene nanocomposite: a multifunctional material J. Phys. Chem. C 118 2014 15487 15494
23. 4 Nanolayers@ N-graphene films as catalyst electrodes for highly efficient hydrogen evolution ACS Nano 9 2015 931 940
24. J.P. Perdew, K. Burke, and M. Ernzerhof Generalized gradient approximation made simple Phys. Rev. Lett. 77 1996 3865
25. J.P. Perdew, M. Ernzerhof, and K. Burke Rationale for mixing exact exchange with density functional approximations J. Chem. Phys. 105 1996 9982 9985
26. S. Grimme Semiempirical GGA-type density functional constructed with a long-range dispersion correction J. Comput. Chem. 27 2006 1787 1799
27. H.J. Monkhorst, and J.D. Pack Special points for Brillouin-zone integrations Phys. Rev. B 13 1976 5188
28. P. Atkins Physical Chemistry 2014 Oxford University Press 10th
29. 2 nanoparticles as catalyst for hydrogen evolution J. Am. Chem. Soc. 127 2005 5308 5309
30. J. Greeley, T.F. Jaramillo, J. Bonde, I. Chorkendorff, and J.K. Norskov Computational high-throughput screening of electrocatalytic materials for hydrogen evolution Nat. Mater. 5 2006 909 913
31. G. Gao, Y. Jiao, F. Ma, Y. Jiao, E. Waclawik, and A. Du Charge mediated semiconducting-to-metallic phase transition in molybdenum disulfide monolayer and hydrogen evolution reaction in new 1T′ Phase J. Phys. Chem. C 119 2015 13124 13128