Theoretically Manipulating Quantum Dots on Two-Dimensional TiO2 Monolayer for Effective Visible Light Absorption

ACS Applied Materials and Interfaces

Volumn 9, Issue 9, 2017, Pages 8255-8262

  Liao, Ting ^a,b   Sun, Ziqi ^b   Dou, Shi Xue ^a  

^a UNIVERSITY OF WOLLONGONG   (Australia)

^b QUEENSLAND UNIVERSITY OF TECHNOLOGY   (Australia)

Author keywords

DFT calculations; hybrid materials; monolayers; quantum dots; solar cells

Indexed keywords

ENERGY HARVESTING; HYBRID MATERIALS; LIGHT; LIGHT ABSORPTION; MONOLAYERS; NANOCRYSTALS; PHOTOVOLTAIC EFFECTS; SEMICONDUCTING SELENIUM COMPOUNDS; SEMICONDUCTING TELLURIUM; SEMICONDUCTOR QUANTUM DOTS; SOLAR CELLS; SOLAR ENERGY; TITANIUM DIOXIDE;

CHARGE SEPARATIONS; DFT CALCULATION; INTERFACIAL COUPLINGS; PHOTOCATALYTIC MATERIALS; SCIENCE AND ENGINEERING; TWO DIMENSIONAL (2 D); VISIBLE FREQUENCIES; VISIBLE LIGHT ABSORPTION;

ELECTROMAGNETIC WAVE ABSORPTION;

EID: 85014812207     PISSN: 19448244     EISSN: 19448252     Source Type: Journal    
DOI: 10.1021/acsami.6b15741     Document Type: Article

References (42)

1. Aricò, A. S.; Bruce, P.; Scrosati, B.; Tarascon, J. M.; van Schalkwijk, W. Nanostructured Materials for Advanced Energy Conversion and Storage Devices Nat. Mater. 2005, 4, 366-377 10.1038/nmat1368
2. Beard, M. C.; Luther, J. M.; Nozik, A. J. The Promise and Challenge of Nanostructured Solar Cells Nat. Nanotechnol. 2014, 9, 951-954 10.1038/nnano.2014.292
3. Yu, R.; Lin, Q. F.; Leung, S. F.; Fan, Z. Y. Nanomaterials and Nanostructures for Efficient Light Absorption and Photovoltaics Nano Energy 2012, 1, 57-72 10.1016/j.nanoen.2011.10.002
4. Chen, G. Y.; Seo, J. W.; Yang, C. H.; Prasad, P. N. Nanochemistry and Nanomaterials for Photovoltaics Chem. Soc. Rev. 2013, 42, 8304-8338 10.1039/c3cs60054h
5. Guo, C. X.; Yang, H. B.; Sheng, Z. M.; Lu, Z. S.; Song, Q. L.; Li, C. M. Layered Graphene/Quantum Dots for Photovoltaic Devices Angew. Chem., Int. Ed. 2010, 49, 3014-3017 10.1002/anie.200906291
6. 2 Three-Component Nanojunction System Nat. Mater. 2006, 5, 782-786 10.1038/nmat1734
7. 2/Graphene Nanocatalyst Sci. Rep. 2014, 4, 6256 10.1038/srep06256
8. 2S Reduced Graphene Oxide Composite for High-Efficiency Quantum Dot Solar Cell J. Phys. Chem. Lett. 2011, 2, 2453-2460 10.1021/jz201064k
9. Zhang, N.; Yang, M. Q.; Liu, S. Q.; Sun, Y. G.; Xu, Y. J. Waltzing with the Versatile Platform of Graphene to Synthesize Composite Photocatalysts Chem. Rev. 2015, 115, 10307-10377 10.1021/acs.chemrev.5b00267
10. Rahman, M. Z.; Kwong, C. W.; Davey, K.; Qiao, S. Z. 2D Phosphorene as a Water Splitting Photocatalyst: Fundamentals to Applications Energy Environ. Sci. 2016, 9, 709-728 10.1039/C5EE03732H
11. Zheng, X. L.; Song, J. P.; Ling, T.; Hu, Z. P.; Yin, P. F.; Davey, K.; Du, X. W.; Qiao, S. Z. Strongly Coupled Nafion Molecules and Ordered Porous CdS Networks for Enhanced Visible-Light Photoelectrochemical Hydrogen Evolution Adv. Mater. 2016, 28, 4935-4942 10.1002/adma.201600437
12. 2 Production Energy Environ. Sci. 2015, 8, 3708-3717 10.1039/C5EE02650D
13. 2-Production Activity Adv. Energy Mater. 2014, 4, 1301925 10.1002/aenm.201301925
14. Tada, H.; Fujishima, M.; Kobayashi, H. Photo Deposition of Metal Sulfide Quantum Dots on Titanium Dioxide and the Applications to Solar Energy Conversion Chem. Soc. Rev. 2011, 40, 4232-4243 10.1039/c0cs00211a
15. 2 Architecture J. Am. Chem. Soc. 2008, 130, 4007-4015 10.1021/ja0782706
16. 2 Nanotubes ACS Nano 2008, 2, 1682-1688 10.1021/nn800141e
17. 2 Nanocrystalline Films Nano Lett. 2012, 12, 303-309 10.1021/nl2035783
18. 1-x Alloyed Quantum Dots Nano Lett. 2013, 13, 3078-3085 10.1021/nl4009748
19. Wang, L. Z.; Sasaki, T. Titanium Oxide Nanosheets: Graphene Analogues with Versatile Functionalities Chem. Rev. 2014, 114, 9455-9486 10.1021/cr400627u
20. Bai, Y.; Mora-Seró, I.; De Angelis, F.; Bisquert, J.; Wang, P. Titanium Dioxide Nanomaterials for Photovoltaic Application Chem. Rev. 2014, 114, 10095-10130 10.1021/cr400606n
21. Sun, Z. Q.; Liao, T.; Dou, Y. H.; Hwang, S. M.; Park, M. S.; Jiang, L.; Kim, J. H.; Dou, S. X. Generalized Self-Assembly of Scalable Two-Dimensional Transition Metal Oxide Nanosheets Nat. Commun. 2014, 5, 3813 10.1038/ncomms4813
22. 2 Nanostructures towards Superior Photovoltaic Cells Chem.-Eur. J. 2016, 22, 11357-11364 10.1002/chem.201601546
23. Kim, M. R.; Ma, D. L. Quantum-Dot-Based Solar Cells: Recent Advances, Strategies, and Challenges J. Phys. Chem. Lett. 2015, 6, 85-99 10.1021/jz502227h
24. Burst, J. M.; Duenow, J. N.; Albin, D. S.; Colegrove, E.; Reese, M. O.; Aguiar, J. A.; Jiang, C. S.; Patel, M. K.; Al-Jassim, M. M.; Kuciauskas, D.; Swain, S.; Ablekim, T.; Lynn, K. G.; Metzger, W. K. CdTe Solar Cells with Open-Circuit Voltage Breaking the 1V Barrier Nature Energy 2016, 1, 16015 10.1038/nenergy.2016.15
25. Kaxiras, E. Effect of Surface Reconstruction on Stability and Reactivity of Si Clusters Phys. Rev. Lett. 1990, 64, 551-554 10.1103/PhysRevLett.64.551
26. Kasuya, A.; Sivamohan, R.; Barnakov, Y. A.; Dmitruk, I. M.; Nirasawa, T.; Romanyuk, V. R.; Kumar, V.; Mamykin, S. V.; Tohji, K.; Jeyadevan, B.; Shinoda, K.; Kudo, T.; Terasaki, O.; Liu, Z.; Belosludov, R. V.; Sundararajan, V.; Kawazoe, Y. Ultra-Stable Nanoparticles of CdSe Revealed from Mass Spectrometry Nat. Mater. 2004, 3, 99-102 10.1038/nmat1056
27. Erwin, S. C.; Zu, L. J.; Haftel, M. I.; Efros, A. L.; Kennedy, T. A.; Norris, D. J. Doping Semiconductor Nanocrystals Nature 2005, 436, 91-94 10.1038/nature03832
28. Rocca, D.; Gebauer, R.; Saad, Y.; Baroni, S. Turbo Charging Time-Dependent Density-Functional Theory with Lanczos Chains J. Chem. Phys. 2008, 128, 154105 10.1063/1.2899649
29. Walker, B.; Gebauer, R. Ultrasoft Pseudopotential in Time-Dependent Density-Functional Theory J. Chem. Phys. 2007, 127, 164106 10.1063/1.2786999
30. Walker, B.; Gebauer, R.; Saitta, A. M.; Baroni, S. Efficient Approach to Time-Dependent Density-Functional Perturbation Theory for Optical Spectroscopy Phys. Rev. Lett. 2006, 96, 113001 10.1103/PhysRevLett.96.113001
31. Giannozzi, P.; Baroni, S.; Bonini, N.; Calandra, M.; Car, R.; Cavazzoni, C.; Ceresoli, D.; Chiarotti, G. L.; Cococcioni, M.; Dabo, I.; Dal Corso, A.; Fabris, S.; Fratesi, G.; De Gironcoli, S.; Gebauer, R.; Gerstmann, U.; Gougoussis, C.; Kokalj, A.; Lazzeri, M.; Martin-Samos, L.; Marzari, N.; Mauri, F.; Mazzarello, R.; Paolini, S.; Pasquarello, A.; Paulatto, L.; Sbraccia, C.; Scandolo, S.; Sclauzero, G.; Seitsonen, A. P.; Smogunov, A.; Umari, P.; Wentzcovitch, R. M. Quantum ESPRESSO: A Modular and Open-Source Software Project for Quantum Simulations of Materials J. Phys.: Condens. Matter 2009, 21, 395502 10.1088/0953-8984/21/39/395502
32. Monkhorst, H. J.; Pack, J. D. Special Points for Brillouin-Zone Integrations Phys. Rev. B 1976, 13, 5188-5192 10.1103/PhysRevB.13.5188
33. Troullier, N.; Martins, J. L. Efficient Pseudopotentials for Plane-Wave Calculations Phys. Rev. B: Condens. Matter Mater. Phys. 1991, 43, 1993 10.1103/PhysRevB.43.1993
34. Perdew, J. P.; Burke, K.; Ernzerhof, M. Generalized Gradient Approximation Made Simple Phys. Rev. Lett. 1996, 77, 3865-3868 10.1103/PhysRevLett.77.3865
35. Anisimov, V. I.; Aryasetiawan, F.; Lichtenstein, A. I. First-Principles Calculations of the Electronic Structure and Spectra of Strongly Correlated Systems: The LDA+U Method J. Phys.: Condens. Matter 1997, 9, 767-808 10.1088/0953-8984/9/4/002
36. 2 Starting from DFT+U J. Phys.: Condens. Matter 2012, 24, 202201 10.1088/0953-8984/24/20/202201
37. Sakai, N.; Ebina, Y.; Takada, K.; Sasaki, T. Electronic Band Structure of Titania Semiconductor Nanosheet Revealed by Electrochemical and Photoelectrochemical Studies J. Am. Chem. Soc. 2004, 126, 5851-5858 10.1021/ja0394582
38. Lee, Y. L.; Lo, Y. S. Highly Efficient Quantum-Dot-Sensitized Solar Cell Based on Co-Sensitization of CdS/CdSe Adv. Funct. Mater. 2009, 19, 604-609 10.1002/adfm.200800940
39. Kamat, P. V. Quantum Dot Solar Cells. Semiconductor Nanocrystals as Light Harvesters J. Phys. Chem. C 2008, 112, 18737-18753 10.1021/jp806791s
40. 2 Solar Cells Based on Multilayered Semiconductors (ZnSe/CdS/CdSe) Nanoscale 2015, 7, 3173-3180 10.1039/C4NR06935H
41. Zhang, X.; Zhang, J. J.; Xia, Y. Y. Molecular Design of Coumarin Dyes with High Efficiency in Dye-Sensitized Solar Cells J. Photochem. Photobiol., A 2008, 194, 167-172 10.1016/j.jphotochem.2007.08.004
42. Anderson, N. A.; Lian, T. Ultrafast Electron Injection from Metal Polypyridyl Complexes to Metal-Oxide Nanocrystalline Thin Films Coord. Chem. Rev. 2004, 248, 1231-1246 10.1016/j.ccr.2004.03.029