Porous graphitic carbon nitride: A possible metal-free photocatalyst for water splitting

Journal of Physical Chemistry C

Volumn 118, Issue 46, 2014, Pages 26479-26484

  Srinivasu, K ^a   Modak, Brindaban ^a   Ghosh, Swapan K ^a  

^a UM DAE CENTRE FOR EXCELLENCE IN BASIC SCIENCES   (India)

Author keywords

[No Author keywords available]

Indexed keywords

CALCULATIONS; ELECTRONIC STRUCTURE; ENERGY GAP; HYDROGEN PRODUCTION; LIGHT; NITRIDES; POLYOLS; POROUS MATERIALS; SOLAR ENERGY; SOLAR POWER GENERATION;

FIRST-PRINCIPLES CALCULATION; MULTI-LAYERED STRUCTURE; PHOTOCATALYTIC WATER SPLITTING; POROUS GRAPHITIC CARBON; THEORETICAL INVESTIGATIONS; THERMODYNAMIC CRITERIONS; VALENCE-BAND MAXIMUMS; VISIBLE-LIGHT ACTIVITY;

CARBON NITRIDE;

EID: 84914703363     PISSN: 19327447     EISSN: 19327455     Source Type: Journal    
DOI: 10.1021/jp506538d     Document Type: Article

References (46)

1. Lewis, N. S.; Nocera, D. G. Powering the Planet: Chemical Challenges in Solar Energy Utilization. Proc. Natl. Acad. Sci. U.S.A. 2006, 103, 15729-15735.
2. Züttel, A.; Remhof, A.; Borgschulte, A.; Friedrichs, O. Hydrogen: The Future Energy Carrier. Philos. Trans. R. Soc., A 2010, 368, 3329-3342.
3. Yerga, R. M. N.; Galván, M. C. A.; del Valle, F.; de la Mano, J. A. V.; Fierro, J. L. G. Water Splitting on Semiconductor Catalysts under Visible-Light Irradiation. ChemSusChem 2009, 2, 471-485.
4. Bard, A. J.; Fox, M. A. Artificial photosynthesis: Solar Splitting of Water to Hydrogen and Oxygen. Acc. Chem. Res. 1995, 28, 141-145.
5. Fujishima, A.; Honda, K. Electrochemical Photolysis of Water at a Semiconductor Electrode. Nature 1972, 238, 37-38.
6. 2 Photocatalysis: A Historical Overview and Future Prospects. Jpn. J. Appl. Phys. Part 2005, 44, 8269-8285.
7. Chen, X.; Shen, S.; Guo, L.; Mao, S. S. Semiconductor-based Photocatalytic Hydrogen Generation. Chem. Rev. 2010, 110, 6503-6570.
8. Kudo, A.; Miseki, Y. Heterogeneous Photocatalyst Materials for Water Splitting. Chem. Soc. Rev. 2009, 38, 253-278.
9. Maeda, K.; Domen, K. Photocatalytic Water Splitting: Recent Progress and Future Challenges. J. Phys. Chem. Lett. 2010, 1, 2655-2661.
10. Maeda, K.; Domen, K. New Non-Oxide Photocatalysts Designed for Overall Water Splitting under Visible Light. J. Phys. Chem. C 2007, 111, 7851-7861.
11. 3 Doped with N, Mo, and (N,Mo): A Hybrid Density Functional Study. J. Phys. Chem. C 2014, 118, 10711-10719.
12. 7 for Visible Light Photocatalysis: A First Principles Study. J. Phys. Chem. C 2013, 117, 5043-5050.
13. Wang, X.; Maeda, K.; Thomas, A.; Takanabe, K.; Xin, G.; Carlsson, J. M.; Domen, K.; Antonietti, M. A Metal-free polymeric Photocatalyst for Hydrogen Production from Water under Visible Light. Nat. Mater. 2008, 8, 76-80.
14. Zhang, J.; Chen, X.; Takanabe, K.; Maeda, K.; Domen, K.; Epping, J. D.; Fu, X.; Antonietti, M.; Wang, X. Synthesis of a Carbon Nitride Structure for Visible-Light Catalysis by Copolymerization. Angew. Chem., Int. Ed. 2010, 49, 441-444.
15. Zhang, Y.; Mori, T.; Niu, L.; Ye, J. Non-covalent Doping of Graphitic Carbon Nitride Polymer with Graphene: Controlled Electronic Structure and Enhanced Optoelectronic Conversion. Energy Environ. Sci. 2011, 4, 4517-4521.
16. 4 via Doping of Nonmetal Elements: A First-Principles Study. J. Phys. Chem. C 2012, 116, 23485-23493.
17. Zheng, Y.; Liu, J.; Liang, J.; Jaroniec, M.; Qiao, S. Z. Graphitic Carbon Nitride Materials: Controllable Synthesis and Applications in Fuel Cells and Photocatalysis. Energy Environ. Sci. 2012, 5, 6717-6731.
18. Pan, H.; Zhang, Y. W.; Shenoy, V. B.; Gao, H. Ab Initio Study on a Novel Photocatalyst: Functionalized Graphitic Carbon Nitride Nanotube. ACS Catal. 2011, 1, 99-104.
19. 2 Nanocomposite. J. Mater. Chem. A 2014, 2, 7960-7966.
20. 4 Composite Photocatalysts Under Visible Light. Dalton Trans. 2014, 43, 7236-724.
21. Schwinghammer, K.; Tuffy, B.; Mesch, M. B.; Wirnhier, E.; Martineau, C.; Taulelle, F.; Schnick, W.; Senker, J.; Lotsch, B. V. Triazine-based Carbon Nitrides for Visible-Light-Driven Hydrogen Evolution. Angew. Chem., Int. Ed. 2013, 52, 2435-2439.
22. McDermott, E. J.; Wirnhier, E.; Schnick, W.; Virdi, K. S.; Scheu, C.; Kauffmann, Y.; Kaplan, W. D.; Kurmaev, E. Z.; Moewes, A. Band Gap Tuning in Poly(triazine imide), a Nonmetallic Photocatalyst. J. Phys. Chem. C 2013, 117, 8806-8812.
23. Schwinghammer, K.; Mesch, M. B.; Duppel, V.; Ziegler, C.; Senker, J.; Lotsch, B. V. Crystalline Carbon Nitride Nanosheets for Improved Visible-Light Hydrogen Evolution. J. Am. Chem. Soc. 2014, 136, 1730-1733.
24. Cao, C.; Huang, F.; Cao, C.; Li, J.; Zhu, H. Synthesis of Carbon Nitride Nanotubes via a Catalytic-Assembly Solvothermal Route. Chem. Mater. 2004, 16, 5213-5215.
25. Li, J.; Cao, C.; Hao, J.; Qiu, H.; Xu, Y.; Zhu, H. Self-assembled One-dimensional Carbon Nitride Architectures. Diamond Relat. Mater. 2006, 15, 1593-1600.
26. Li, X.; Zhou, J.; Wang, Q.; Kawazoe, Y.; Jena, P. Patterning Graphitic C-N Sheets into a Kagome Lattice for Magnetic Materials. J. Phys. Chem. Lett. 2013, 4, 259-263.
27. 3 sheet. Phys. Chem. Chem. Phys. 2013, 15, 7142-7146.
28. Blöchl, P. E. Projector Augmented-Wave Method. Phys. Rev. B 1994, 50, 17953-17979.
29. Kresse, G.; Joubert, D. From Ultrasoft Pseudopotentials to the Projector Augmented-Wave Method. Phys. Rev. B 1999, 59, 1758-1775.
30. Kresse, G.; Furthmüller, J. Efficient Iterative Schemes for Ab Initio Total-Energy Calculations Using a Plane-Wave Basis Set. Phys. Rev. B 1996, 54, 11169-11186.
31. Kresse, G.; Furthmüller, J. Efficiency of Ab-Initio Total Energy Calculations for Metals and Semiconductors Using a Plane-Wave Basis Set. Comput. Mater. Sci. 1996, 6, 15-50.
32. Perdew, J. P.; Burke, K.; Ernzerhof, M. Generalized Gradient Approximation Made Simple. Phys. Rev. Lett. 1996, 77, 3865-3868.
33. Monkhorst, H. J.; Pack, J. D. Special Points for Brillouin-zone Integrations. Phys. Rev. B 1976, 13, 5188-5192.
34. Heyd, J.; Scuseria, G. E.; Ernzerhof, M. Hybrid Functionals Based on a Screened Coulomb Potential. J. Chem. Phys. 2003, 118, 8207.
35. Kokalj, A. XCrySDen - a New Program for Displaying Crystalline Structures and Electron Densities. J. Mol. Graph. Model. 1999, 17, 176-179.
36. Momma, K.; Izumi, F. VESTA: A Three-dimensional Visualization System for Electronic and Structural Analysis. J. Appl. Crystallogr. 2008, 41, 653-658.
37. Liu, G.; Niu, P.; Sun, C.; Smith, S. C.; Chen, Z.; Lu, G. Q.; Cheng, H. Unique Electronic Structure Induced High Photoreactivity of Sulfur-Doped Graphitic C3N4. J. Am. Chem. Soc. 2010, 132, 11642-11648.
38. Wu, F.; Liu, Y.; Yu, G.; Shen, D.; Wang, Y.; Kan, E. Visible-Light-Absorption in Graphitic C3N4 Bilayer: Enhanced by Interlayer Coupling. J. Phys. Chem. Lett. 2012, 3, 3330-3334.
39. Grimme, S. Semiempirical GGA-type Density Functional Constructed with a Long-Range Dispersion Correction. J. Comput. Chem. 2006, 27, 1787-1799.
40. Modak, B.; Srinivasu, K.; Ghosh, S. K. Band Gap Engineering of NaTaO3 Using Density Functional Theory: A Charge Compensated Codoping Strategy. Phys. Chem. Chem. Phys. 2014, 16, 17116-17124.
41. 3 Through (Sb, N) Codoping: A Hybrid Density Functional Study. RSC Adv. 2014, 4, 45703-45709.
42. 4 Visible Light Photocatalyst. RSC Adv. 2014, 4, 21657-21663.
43. Fox, M. Optical Properties of Solids; Oxford University Press: New York, 2002.
44. Toroker, M. C.; Kanan, D. K.; Alidoust, N.; Isseroff, L. Y.; Liao, P.; Carter, E. A. First Principles Scheme to Evaluate Band Edge Positions in Potential Transition Metal Oxide Photocatalysts and Photoelectrodes. Phys. Chem. Chem. Phys. 2011, 13, 16644-16654.
45. Kang, J.; Tongay, S.; Zhou, J.; Li, J.; Wu, J. Band Offsets and Heterostructures of Two-dimensional Semiconductors. Appl. Phys. Lett. 2013, 102, No. 012111.
46. Choi, C. H.; Park, S. H.; Woo, S. I. Binary and Ternary Doping of Nitrogen, Boron, and Phosphorus into Carbon for Enhancing Electrochemical Oxygen Reduction Activity. ACS Nano 2012, 6, 7084-7091.