Complex Surface Chemistry of Kesterites: Cu/Zn Reordering after Low Temperature Postdeposition Annealing and Its Role in High Performance Devices

Chemistry of Materials

Volumn 27, Issue 15, 2015, Pages 5279-5287

  Neuschitzer, Markus ^a   Sanchez, Yudania ^a   Olar, Tetiana ^b   Thersleff, Thomas ^c   Lopez Marino, Simon ^a   Oliva, Florian ^a   Espindola Rodriguez, Moises ^a   Xie, Haibing ^a   Placidi, Marcel ^a   Izquierdo Roca, Victor ^a   Lauermann, Iver ^b   Leifer, Klaus ^c   Pérez Rodriguez, Alejandro ^a,d   Saucedo, Edgardo ^a  

^a CATALONIA INSTITUTE FOR ENERGY RESEARCH IREC   (Spain)

^b HAHN MEITNER INSTITUT   (Germany)

^c UPPSALA UNIVERSITY   (Sweden)

^d UNIVERSITY OF BARCELONA   (Spain)

Author keywords

[No Author keywords available]

Indexed keywords

ANNEALING; CADMIUM SULFIDE; CADMIUM SULFIDE SOLAR CELLS; DEFECT DENSITY; ETCHING; GRAIN BOUNDARIES; HETEROJUNCTIONS; SOLAR ABSORBERS; SOLAR CELLS; SURFACE CHEMISTRY; TEMPERATURE;

ANNEALING TREATMENTS; HETEROJUNCTION SOLAR CELLS; HIGH PERFORMANCE DEVICES; MICROSTRUCTURAL INVESTIGATION; P-N HETEROJUNCTIONS; POST DEPOSITION ANNEALING; POWER CONVERSION EFFICIENCIES; RAMAN MEASUREMENTS;

COPPER COMPOUNDS;

EID: 84939124063     PISSN: 08974756     EISSN: 15205002     Source Type: Journal    
DOI: 10.1021/acs.chemmater.5b01473     Document Type: Article

References (48)

1. Jackson, P.; Hariskos, D.; Wuerz, R.; Wischmann, W.; Powalla, M. Compositional Investigation of Potassium Doped Cu(In,Ga)Se2 Solar Cells with Efficiencies up to 20.8%: Compositional Investigation of Potassium Doped Cu(In,Ga)Se2 Solar Cells with Efficiencies up to 20.8% Phys. Status Solidi RRL 2014, 8, 219-222 10.1002/pssr.201409040
2. Wang, W.; Winkler, M. T.; Gunawan, O.; Gokmen, T.; Todorov, T. K.; Zhu, Y.; Mitzi, D. B. Device Characteristics of CZTSSe Thin-Film Solar Cells with 12.6% Efficiency Adv. Energy Mater. 2014, 4, 1301465 10.1002/aenm.201301465
3. Lee, Y. S.; Gershon, T.; Gunawan, O.; Todorov, T. K.; Gokmen, T.; Virgus, Y.; Guha, S. Cu2ZnSnSe 4 Thin-Film Solar Cells by Thermal Co-Evaporation with 11.6% Efficiency and Improved Minority Carrier Diffusion Length. Adv. Energy Mater. 2015, 5, doi: 10.1002/aenm.201401372.
4. Gokmen, T.; Gunawan, O.; Todorov, T. K.; Mitzi, D. B. Band Tailing and Efficiency Limitation in Kesterite Solar Cells Appl. Phys. Lett. 2013, 103, 103506 10.1063/1.4820250
5. Chen, S.; Walsh, A.; Gong, X.-G.; Wei, S.-H. Classification of Lattice Defects in the Kesterite Cu2ZnSnS4 and Cu2 ZnSnSe4 Earth-Abundant Solar Cell Absorbers Adv. Mater. 2013, 25, 1522-1539 10.1002/adma.201203146
6. Kim, J.; Hiroi, H.; Todorov, T. K.; Gunawan, O.; Kuwahara, M.; Gokmen, T.; Nair, D.; Hopstaken, M.; Shin, B.; Lee, Y. S. High Efficiency Cu2ZnSn(S,Se)4 Solar Cells by Applying a Double In2S3/CdS Emitter Adv. Mater. 2014, 26, 7427-7431 10.1002/adma.201402373
7. Hironiwa, D.; Sakai, N.; Kato, T.; Sugimoto, H.; Tang, Z.; Chantana, J.; Minemoto, T. Impact of Annealing Treatment before Buffer Layer Deposition on Cu2ZnSn(S,Se)4 Solar Cells Thin Solid Films 2015, 582, 151-153 10.1016/j.tsf.2014.11.016
8. Repins, I.; Beall, C.; Vora, N.; DeHart, C.; Kuciauskas, D.; Dippo, P.; To, B.; Mann, J.; Hsu, W.-C.; Goodrich, A. Co-Evaporated Cu2ZnSnSe4 Films and Devices Sol. Energy Mater. Sol. Cells 2012, 101, 154-159 10.1016/j.solmat.2012.01.008
9. Sardashti, K.; Haight, R.; Gokmen, T.; Wang, W.; Chang, L.-Y.; Mitzi, D. B.; Kummel, A. C. Impact of Nanoscale Elemental Distribution in High-Performance Kesterite Solar Cells. Adv. Energy Mater. 2015, 5, doi: 10.1002/aenm.201402180.
10. Rau, U.; Braunger, D.; Herberholz, R.; Schock, H. W.; Guillemoles, J.-F.; Kronik, L.; Cahen, D. Oxygenation and Air-Annealing Effects on the Electronic Properties of Cu(In,Ga)Se2 Films and Devices J. Appl. Phys. 1999, 86, 497 10.1063/1.370758
11. Chirilə, A.; Reinhard, P.; Pianezzi, F.; Bloesch, P.; Uhl, A. R.; Fella, C.; Kranz, L.; Keller, D.; Gretener, C.; Hagendorfer, H. Potassium-Induced Surface Modification of Cu(In,Ga)Se2 Thin Films for High-Efficiency Solar Cells Nat. Mater. 2013, 12, 1107-1111 10.1038/nmat3789
12. Scragg, J. J. S.; Choubrac, L.; Lafond, A.; Ericson, T.; Platzer-Björkman, C. A Low-Temperature Order-Disorder Transition in Cu2ZnSnS4 Thin Films Appl. Phys. Lett. 2014, 104, 041911 10.1063/1.4863685
13. Rey, G.; Redinger, A.; Sendler, J.; Weiss, T. P.; Thevenin, M.; Guennou, M.; El Adib, B.; Siebentritt, S. The Band Gap of Cu2ZnSnSe4: Effect of Order-Disorder Appl. Phys. Lett. 2014, 105, 112106 10.1063/1.4896315
14. Paris, M.; Choubrac, L.; Lafond, A.; Guillot-Deudon, C.; Jobic, S. Solid-State NMR and Raman Spectroscopy To Address the Local Structure of Defects and the Tricky Issue of the Cu/Zn Disorder in Cu-Poor, Zn-Rich CZTS Materials Inorg. Chem. 2014, 53, 8646-8653 10.1021/ic5012346
15. López-Marino, S.; Placidi, M.; Pérez-Tomás, A.; Llobet, J.; Izquierdo-Roca, V.; Fontané, X.; Fairbrother, A.; Espíndola-Rodríguez, M.; Sylla, D.; Pérez-Rodríguez, A. Inhibiting the absorber/Mo-Back Contact Decomposition Reaction in Cu2ZnSnSe4 Solar Cells: The Role of a ZnO Intermediate Nanolayer J. Mater. Chem. A 2013, 1, 8338-8343 10.1039/c3ta11419h
16. Polizzotti, A.; Repins, I. L.; Noufi, R.; Wei, S.-H.; Mitzi, D. B. The State and Future Prospects of Kesterite Photovoltaics Energy Environ. Sci. 2013, 6, 3171-3182 10.1039/c3ee41781f
17. Neuschitzer, M.; Sanchez, Y.; López-Marino, S.; Xie, H.; Fairbrother, A.; Placidi, M.; Haass, S.; Izquierdo-Roca, V.; Perez-Rodriguez, A.; Saucedo, E. Optimization of CdS Buffer Layer for High-Performance Cu2ZnSnSe4 Solar Cells and the Effects of Light Soaking: Elimination of Crossover and Red Kink: CdS and Effects of Light Soaking: Elimination of Crossover and Red Kink Prog. Photovoltaics 2015, 10.1002/pip.2589
18. López-Marino, S.; Sánchez, Y.; Placidi, M.; Fairbrother, A.; Espindola-Rodríguez, M.; Fontané, X.; Izquierdo-Roca, V.; López-García, J.; Calvo-Barrio, L.; Pérez-Rodríguez, A. ZnSe Etching of Zn-Rich Cu2ZnSnSe4: An Oxidation Route for Improved Solar-Cell Efficiency Chem.-Eur. J. 2013, 19, 14814-14822 10.1002/chem.201302589
19. Briggs, D.; Seah, M. P. Practical Surface Analysis, 2 nd ed.; Wiley; Salle + Sauerländer: Chichester; New York, Aarau, 1990.
20. Ahn, S.; Jung, S.; Gwak, J.; Cho, A.; Shin, K.; Yoon, K.; Park, D.; Cheong, H.; Yun, J. H. Determination of Band Gap Energy (EG) of Cu2ZnSnSe4 Thin Films: On the Discrepancies of Reported Band Gap Values Appl. Phys. Lett. 2010, 97, 021905 10.1063/1.3457172
21. Gonçalves, G.; Elangovan, E.; Barquinha, P.; Pereira, L.; Martins, R.; Fortunato, E. Influence of Post-Annealing Temperature on the Properties Exhibited by ITO, IZO and GZO Thin Films Thin Solid Films 2007, 515, 8562-8566 10.1016/j.tsf.2007.03.126
22. Park, K.; Yu, H. J.; Chung, W. K.; Kim, B.-J.; Kim, S. H. Effect of Heat-Treatment on CdS and CdS/ZnS Nanoparticles J. Mater. Sci. 2009, 44, 4315-4320 10.1007/s10853-009-3641-2
23. Haight, R.; Barkhouse, A.; Gunawan, O.; Shin, B.; Copel, M.; Hopstaken, M.; Mitzi, D. B. Band Alignment at the Cu2ZnSn(SxSe1-x)4/CdS Interface Appl. Phys. Lett. 2011, 98, 253502 10.1063/1.3600776
24. Li, J.; Wei, M.; Du, Q.; Liu, W.; Jiang, G.; Zhu, C. The Band Alignment at CdS/Cu2ZnSnSe4 Heterojunction Interface Surf. Interface Anal. 2013, 45, 682-684 10.1002/sia.5095
25. Scheer, R.; Schock, H. W. Chalcogenide Photovoltaics Physics, Technologies, and Thin Film Devices; Wiley-VCH; John Wiley: Weinheim; Chichester, 2011.
26. Gloeckler, M.; Sites, J. R. Efficiency Limitations for Wide-Band-Gap Chalcopyrite Solar Cells Thin Solid Films 2005, 480-481, 241-245 10.1016/j.tsf.2004.11.018
27. Minemoto, T.; Matsui, T.; Takakura, H.; Hamakawa, Y.; Negami, T.; Hashimoto, Y.; Uenoyama, T.; Kitagawa, M. Theoretical Analysis of the Effect of Conduction Band Offset of window/CIS Layers on Performance of CIS Solar Cells Using Device Simulation Sol. Energy Mater. Sol. Cells 2001, 67, 83-88 10.1016/S0927-0248(00)00266-X
28. Timo Wätjen, J.; Scragg, J. J.; Edoff, M.; Rubino, S.; Platzer-Björkman, C. Cu out-Diffusion in kesterites-A Transmission Electron Microscopy Specimen Preparation Artifact Appl. Phys. Lett. 2013, 102, 051902 10.1063/1.4790282
29. Rusu, M.; Bär, M.; Lehmann, S.; Sadewasser, S.; Weinhardt, L.; Kaufmann, C. A.; Strub, E.; Röhrich, J.; Bohne, W.; Lauermann, I. Three-Dimensional Structure of the Buffer/absorber Interface in CdS/CuGaSe2 Based Thin Film Solar Cells Appl. Phys. Lett. 2009, 95, 173502 10.1063/1.3253419
30. Hiepko, K.; Bastek, J.; Schlesiger, R.; Schmitz, G.; Wuerz, R.; Stolwijk, N. A. Diffusion and Incorporation of Cd in Solar-Grade Cu(In,Ga)Se2 Layers Appl. Phys. Lett. 2011, 99, 234101 10.1063/1.3665036
31. Varley, J. B.; Lordi, V. Intermixing at the Absorber-Buffer Layer Interface in Thin-Film Solar Cells: The Electronic Effects of Point Defects in Cu(In,Ga)(Se,S)2 and Cu2ZnSn(Se,S)4 Devices J. Appl. Phys. 2014, 116, 063505 10.1063/1.4892407
32. Nishidate, K.; Sato, T.; Matsukura, Y.; Baba, M.; Hasegawa, M.; Sasaki, T. Density-Functional Electronic Structure Calculations for Native Defects and Cu Impurities in CdS Phys. Rev. B: Condens. Matter Mater. Phys. 2006, 74, 035210 10.1103/PhysRevB.74.035210
33. Mortazavi Amiri, N. B.; Postnikov, A. Electronic Structure and Lattice Dynamics in Kesterite-Type Cu2ZnSnSe4 from First-Principles Calculations Phys. Rev. B: Condens. Matter Mater. Phys. 2010, 82, 205204 10.1103/PhysRevB.82.205204
34. Dimitrievska, M.; Fairbrother, A.; Saucedo, E.; Pérez-Rodríguez, A.; Izquierdo-Roca, V. Influence of Compositionally Induced Defects on the Vibrational Properties of Device Grade Cu2ZnSnSe4 Absorbers for Kesterite Based Solar Cells Appl. Phys. Lett. 2015, 106, 073903 10.1063/1.4913262
35. Márquez-Prieto, J.; Ren, Y.; Miles, R. W.; Pearsall, N.; Forbes, I. The Influence of Precursor Cu Content and Two-Stage Processing Conditions on the Microstructure of Cu2ZnSnSe4 Thin Solid Films 2015, 582, 220-223 10.1016/j.tsf.2014.11.028
36. Salomé, P. M. P.; Fernandes, P. A.; Leitão, J. P.; Sousa, M. G.; Teixeira, J. P.; da Cunha, A. F. Secondary Crystalline Phases Identification in Cu2ZnSnSe4 Thin Films: Contributions from Raman Scattering and Photoluminescence J. Mater. Sci. 2014, 49, 7425-7436 10.1007/s10853-014-8446-2
37. Tanaka, T.; Sueishi, T.; Saito, K.; Guo, Q.; Nishio, M.; Yu, K. M.; Walukiewicz, W. Existence and Removal of Cu2Se Second Phase in Coevaporated Cu2ZnSnSe4 Thin Films J. Appl. Phys. 2012, 111, 053522 10.1063/1.3691964
38. Buffière, M.; Brammertz, G.; Batuk, M.; Verbist, C.; Mangin, D.; Koble, C.; Hadermann, J.; Meuris, M.; Poortmans, J. Microstructural Analysis of 9.7% Efficient Cu2ZnSnSe4 Thin Film Solar Cells Appl. Phys. Lett. 2014, 105, 183903 10.1063/1.4901401
39. Haight, R.; Shao, X.; Wang, W.; Mitzi, D. B. Electronic and Elemental Properties of the Cu2ZnSn(S,Se)4 Surface and Grain Boundaries Appl. Phys. Lett. 2014, 104, 033902 10.1063/1.4862791
40. Xu, P.; Chen, S.; Huang, B.; Xiang, H. J.; Gong, X.-G.; Wei, S.-H. Stability and Electronic Structure of Cu2ZnSnS4 Surfaces: First-Principles Study Phys. Rev. B: Condens. Matter Mater. Phys. 2013, 88, 045427 10.1103/PhysRevB.88.045427
41. Lafond, A.; Choubrac, L.; Guillot-Deudon, C.; Deniard, P.; Jobic, S. Crystal Structures of Photovoltaic Chalcogenides, an Intricate Puzzle to Solve: The Cases of CIGSe and CZTS Materials Z. Anorg. Allg. Chem. 2012, 638, 2571-2577 10.1002/zaac.201200279
42. Wang, K.; Shin, B.; Reuter, K. B.; Todorov, T.; Mitzi, D. B.; Guha, S. Structural and Elemental Characterization of High Efficiency Cu2ZnSnS4 Solar Cells Appl. Phys. Lett. 2011, 98, 051912 10.1063/1.3543621
43. Bag, S.; Gunawan, O.; Gokmen, T.; Zhu, Y.; Todorov, T. K.; Mitzi, D. B. Low Band Gap Liquid-Processed CZTSe Solar Cell with 10.1% Efficiency Energy Environ. Sci. 2012, 5 (5) 7060-7065 10.1039/c2ee00056c
44. Kanevce, A.; Repins, I.; Wei, S.-H. Impact of Bulk Properties and Local Secondary Phases on the Cu2(Zn,Sn)Se4 Solar Cells Open-Circuit Voltage Sol. Energy Mater. Sol. Cells 2015, 133, 119-125 10.1016/j.solmat.2014.10.042
45. Tajima, S.; Asahi, R.; Isheim, D.; Seidman, D. N.; Itoh, T.; Hasegawa, M.; Ohishi, K. Atom-Probe Tomographic Study of Interfaces of Cu2ZnSnS4 Photovoltaic Cells Appl. Phys. Lett. 2014, 105, 093901 10.1063/1.4894858
46. Nakada, T.; Kunioka, A. Direct Evidence of Cd Diffusion into Cu(In, Ga)Se2 Thin Films during Chemical-Bath Deposition Process of CdS Films Appl. Phys. Lett. 1999, 74, 2444 10.1063/1.123875
47. Kiss, J.; Gruhn, T.; Roma, G.; Felser, C. Theoretical Study on the Structure and Energetics of Cd Insertion and Cu Depletion of CuIn5Se8 J. Phys. Chem. C 2013, 117, 10892-10900 10.1021/jp312467f
48. Hiroi, H.; Sakai, N.; Kato, T.; Sugimoto, H. High Voltage Cu2ZnSnS4 Submodules by Hybrid Buffer Layer. Photovoltaic Specialists Conference (PVSC), 2013 IEEE 39th, 2013, 0863-0866.