Predictions for p-type CH3NH3PbI3 perovskites

Journal of Physical Chemistry C

Volumn 118, Issue 44, 2014, Pages 25350-25354

  Shi, Tingting ^a   Yin, Wan Jian ^a   Yan, Yanfa ^a  

^a UNIVERSITY OF TOLEDO   (United States)

Author keywords

[No Author keywords available]

Indexed keywords

DEFECTS; PEROVSKITE; POINT DEFECTS; SOLAR CELLS;

DENSITY-FUNCTIONAL THEORY CALCULATIONS; DOPING PROPERTIES; GROWTH CONDITIONS; HALIDE PEROVSKITES; INTRINSIC POINT DEFECTS; NON-EQUILIBRIUM GROWTH; ORGANIC-INORGANIC; SOLAR CELL MATERIALS;

DENSITY FUNCTIONAL THEORY;

EID: 84949115474     PISSN: 19327447     EISSN: 19327455     Source Type: Journal    
DOI: 10.1021/jp508328u     Document Type: Article

References (35)

1. Kojima, A.; Teshima, K.; Shirai, Y.; Miyasaka, T. Organometal Halide Perovskites as Visible-Light Sensitizers for Photovoltaic Cells. J. Am. Chem. Soc. 2009, 131, 6050-6051.
2. Im, J. H.; Lee, C. R.; Lee, J. W.; Park, S. W.; Park, N.-G. Efficient Perovskite Quantum-Dot-Sensitized Solar Cell. Nanoscale 2011, 3, 4088-4093.
3. Kim, H.-S.; Lee, C.-R.; Im, J. H.; Lee, K. B.; Moehl, T.; Marchioro, A.; Moon, S. J.; Humphry-Baker, R.; Yum, J. H.; Moser, J. E.; et al. Lead Iodide Perovskite Sensitized All-Solid-State Submicron Thin Film Mesoscopic Solar Cell with Efficiency Exceeding 9%. Sci. Rep. 2012, 2, 591.
4. Chung, I.; Lee, B.; He, J. Q.; Chang, R. P. H.; Kanatzidis, M. G. All-Solid-State Dye-Sensitized Solar Cells with High Efficiency. Nature 2012, 485, 486-489.
5. Lee, M. M.; Teuscher, J.; Miyasaka, T.; Murakami, T. N.; Snaith, H. J. Efficient Hybrid Solar Cells Based on Meso-Superstructured Organometal Halide Perovskites. Science 2012, 338, 643-647.
6. Burschka, J.; Pellet, N.; Moon, S. J.; Humphry-Baker, R.; Gao, P.; Nazeeruddin, M. K.; Gratzel, M. Sequential Deposition as a Route to High-Performance Perovskite-Sensitized Solar Cells. Nature 2013, 499, 316-319.
7. Liu, M. Z.; Johnston, M. B.; Snaith, H. J. Efficient Planar Heterojunction Perovskite Solar Cells by Vapour Deposition. Nature 2013, 501, 395-398.
8. Noh, J. H.; Im, S. H.; Heo, J. H.; Mandal, T. N.; Seok, S. I. Chemical Management for Colorful, Efficient, and Stable Inorganic-Organic Hybrid Nanostructured Solar Cells. Nano Lett. 2013, 13, 1764-1769.
9. Park, N. G. Organometal Perovskite Light Absorbers Toward a 20% Efficiency Low-Cost Solid-State Mesoscopic Solar Cell. J. Phys. Chem. Lett. 2013, 4, 2423-2429.
10. 3. Science 2013, 342, 344-347.
11. Stranks, S. D.; Eperon, G. E.; Grancini, G.; Menelaou, C.; Alcocer, M. J. P.; Leijtens, T.; Herz, L. M.; Petrozza, A.; Snaith, H. J. Electron-Hole Diffusion Lengths Exceeding 1 Micrometer in an Organometal Trihalide Perovskite Absorber. Science 2013, 342, 341-344.
12. Chen, Q.; Zhou, H.; Hong, Z.; Luo, S.; Duan, H.-S.; Wang, H.-H.; Liu, Y.; Li, G.; Yang, Y. Planar Heterojunction Perovskite Solar Cells via Vapor-Assisted Solution Process. J. Am. Chem. Soc. 2014, 136, 622-625.
13. http://www.nrel.gov/ncpv/images/efficiency-chart.jpg (accessed on October 13, 2014).
14. Jeon, N. J.; Noh, J. H.; Kim, Y. C.; Yang, W. S.; Ryu, S.; Seok, S. I. Solvent Engineering for High-Performance Inorganic-Organic Hybrid Perovskite Solar Cells. Nat. Mater. 2014, DOI: 10.1038/nmat4014.
15. Yin, W.-J.; Shi, T.; Yan, Y. Unique Properties of Halide Perovskite Solar Cell Materials. Adv. Mater. 2014, 26, 4653-4658.
16. Subbiah, A. S.; Halder, A.; Ghosh, S.; Mahuli, N.; Hodes, G.; Sarkar, S. K. Inorganic Hole Conducting Layers for Perovskite-Based Solar Cells. J. Phys. Chem. Lett. 2014, 5, 1748-1753.
17. Qin, P.; Tanaka, S.; Ito, S.; Tetrault, N.; Manabe, K.; Nishino, H.; Nazeeruddin, M. K.; Gratzel, M. Inorganic Hole Conductor-Based Lead Halide Perovskite Solar Cells with 12.4% Conversion Efficiency. Nat. Commun. 2014, 5, 3834.
18. Christians, J. A.; Fung, R. C. M.; Kamat, P. V. An Inorganic Hole Conductor for Organo-Lead Halide Perovskite Solar Cells. Improved Hole Conductivity with Copper Iodide. J. Am. Chem. Soc. 2014, 136, 758-764.
19. Laban, W. A.; Etgar, L. Depleted Hole Conductor-Free Lead Halide Iodide Heterojunction Solar Cells. Energy Environ. Sci. 2013, 6, 3249-3253.
20. 3 Perovskite Solar Cells. Phys. Chem. Chem. Phys. 2014, 16, 10512-10518.
21. Shi, J.; Dong, J.; Lv, S.; Xu, Y.; Zhu, L.; Xiao, J.; Xu, X.; Wu, H.; Li, D.; Luo, Y.; et al. Hole-Conductor-Free Perovskite Organic Lead Iodide Heterojunction Thin-Film Solar Cells: High Efficiency and Junction Property. Appl. Phys. Lett. 2014, 104, 063901.
22. Mei, A.; Li, X.; Liu, L.; Ku, Z.; Liu, T.; Rong, Y.; Xu, M.; Hu, M.; Chen, J.; Yang, Y.; et al. A Hole-Conductor-Free, Fully Printable Mesoscopic Perovskite Solar Cell with High Stability. Science 2014, 345, 295-298.
23. Kresse, G.; Furthmuller, J. Efficient Iterative Schemes for ab initio Total-Energy Calculations Using a Plane-Wave Basis Set. Phys. Rev. B 1996, 54, 11169-11186.
24. Blochl, P. E. Projector Augmented-Wave Method. Phys. Rev. B 1994, 50, 17953-17979.
25. Kresse, G.; Joubert, D. From Ultrasoft Pseudopotentials to the Projector Augmented-Wave Method. Phys. Rev. B 1999, 59, 1758-1775.
26. Even, J.; Pedesseau, L.; Dupertuis, M.-A.; Jancu, J.-M.; Katan, C. Electronic Model for Self-Assembled Hybrid Organic/Perovskite Semiconductors: Reverse Band Edge Electronic States Ordering and Spin-Orbit Coupling. Phys. Rev. B 2012, 86, 205301-205304.
27. Even, J.; Pedesseau, L.; Jancu, J.-M.; Katan, C. Importance of Spin-Orbit Coupling in Hybrid Organic/Inorganic Perovskites for Photovoltaic Applications. J. Phys. Chem. Lett. 2013, 4, 2999-3005.
28. 3 Perovskites for Solar Cell Applications. Sci. Rep. 2014, DOI: 10.1038/srep04467.
29. 3 Perovskite. Phys. Rev. B 2014, 90, 045207.
30. Mosconi, E.; Amat, A.; Nazeeruddin, M. K.; Gratzel, M.; De Angelis, F. First-Principles Modeling of Mixed Halide Organometal Perovskites for Photovoltaic Applications. J. Phys. Chem. C 2013, 117, 13902-13913.
31. 3 Perovskite Solar Cell Absorber. Appl. Phys. Lett. 2014, 104, 063903.
32. Wei, S.-H. Overcoming the Doping Bottleneck in Semiconductors. Comput. Mater. Sci. 2004, 30, 337-348.
33. Yan, Y.; Wei, S.-H. Doping Asymmetry in Wide-Bandgap Semiconductors: Origins and Solutions. Phys. Status Solidi B 2008, 245, 641-652.
34. Brivo, F.; Walker, A. B.; Walsh, A. Structural and Electronic Properties of Hybrid Perovskites for High-Efficiency Thin-Film Photovoltaics from First-Principles. APL Mater. 2013, 1, 042111.
35. 3. Chem. Chem. Phys. 2014, 16, 1424-1429.