- Open Access
Impact of the Annealing Temperature on the Local Se Distribution and Optical Properties in Solar Cells by Multimodal X-ray Microscopy
PRX Energy 5, 033011 – Published 13 August, 2026
DOI: https://doi.org/10.1103/56gn-4mgn
Abstract
The introduction of Se in CdTe solar-cell absorbers has led to multiple beneficial effects in the devices, including an increased short-circuit current and an extended charge-carrier lifetime. A critical manufacturing step of solar cells is annealing at high temperatures, during which Se diffuses through the absorber layer. Understanding the local Se distribution in the absorber and its impact on optical properties of the material is key for the further development of this thin-film solar cell technology. In a multimodal x-ray scanning microscopy approach, we investigated the impact of the annealing temperature of solar cells on the Se distribution and on optical characteristics of the material. For this purpose, we exploited an upgraded x-ray excited optical luminescence (XEOL) detection unit that enables simultaneous spectrally and temporally resolved XEOL mapping at synchrotron facilities that are ideal for studying thin-film solar-cell materials with hard x-rays featuring high penetration depth and lateral resolution.
Physics Subject Headings (PhySH)
Popular Summary
Modern thin-film solar cells based on cadmium telluride (CdTe) can be made more efficient by adding small amounts of selenium. This improves the efficiency of the cells and enhances the charge-carrier lifetime. A key step in manufacturing these solar cells involves heating them to high temperatures under a environment, which causes selenium to spread through the active layer of the device. However, until now, it has been difficult to directly observe how this selenium distribution varies across the solar cell and how it affects the device performance. In this study, the authors use advanced X-ray microscopy to visualize how selenium is distributed inside CdSeTe solar cells and how this distribution changes with the processing temperature. They reveal how local variations in selenium influence important material properties, such as band-gap energy and charge-carrier lifetime. These results provide new insight into how processing conditions shape the internal composition and performance of thin-film solar cells, helping guide the development of more efficient and reliable solar energy technologies.
Article Text
Supplemental Material
References (65)
- National Laboratory of the Rockies, Best research-cell efficiency chart, Available at https://www.nlr.gov/pv/cell-efficiency.
- E. Colegrove, X. Zheng, T. Ablekim, J. N. Duenow, C. L. Perkins, H. R. Moutinho, and W. K. Metzger, Se diffusion in thin films for photovoltaics, J. Phys. D 54, 025501 (2020).
- A. H. Munshi, J. Kephart, A. Abbas, J. Raguse, J.-N. Beaudry, K. Barth, J. Sites, J. Walls, and W. Sampath, Polycrystalline absorber cells with short-circuit current, IEEE J. Photovoltaics 8, 310 (2017).
- T. A. M. Fiducia, B. G. Mendis, K. Li, C. R. M. Grovenor, A. H. Munshi, K. Barth, W. S. Sampath, L. D. Wright, A. Abbas, J. W. Bowers, and J. M. Walls, Understanding the role of selenium in defect passivation for highly efficient selenium-alloyed cadmium telluride solar cells, Nat. Energy 4, 504 (2019).
- T. Ablekim, J. N. Duenow, C. L. Perkins, J. Moseley, X. Zheng, T. Bidaud, B. Frouin, S. Collin, M. O. Reese, M. Amarasinghe, E. Colegrove, S. Johnston, and W. K. Metzger, Exceeding 200 ns lifetimes in polycrystalline solar cells, Solar RRL 5, 2100173 (2021).
- A. Çiriş, B. M. Başol, Y. Atasoy, A. Karaca, M. Tomakin, T. Küçükomeroglu, and E. Bacaksız, Effect of ultra-thin interface layer on parameters of CdTe solar cells, Solar Energy 234, 128 (2022).
- A. H. Munshi, J. M. Kephart, A. Abbas, A. Danielson, G. Gèlinas, J.-N. Beaudry, K. L. Barth, J. M. Walls, and W. S. Sampath, Effect of passivation treatment on microstructure and performance of thin-film photovoltaic devices, Sol. Energy Mater. Sol. Cells 186, 259 (2018).
- J. D. Poplawsky, W. Guo, N. Paudel, A. Ng, K. More, D. Leonard, and Y. Yan, Structural and compositional dependence of the alloy layer photoactivity in CdTe-based solar cells, Nat. Commun. 7, 12537 (2016).
- S. Paul, S. Sohal, C. Swartz, D.-B. Li, S. S. Bista, C. R. Grice, Y. Yan, M. Holtz, and J. V. Li, Effects of post-deposition annealing on electronic properties of solar cells, Solar Energy 211, 938 (2020).
- C. G. Schroer, P. Boye, J. M. Feldkamp, J. Patommel, D. Samberg, A. Schropp, A. Schwab, S. Stephan, G. Falkenberg, G. Wellenreuther, and N. Reimers, Hard X-ray nanoprobe at beamline P06 at PETRA III, Nucl. Instrum. Methods Phys. Res., Sect. A 616, 93 (2010).
- U. Boesenberg, C. G. Ryan, R. Kirkham, D. P. Siddons, M. Alfeld, J. Garrevoet, T. Núñez, T. Claussen, T. Kracht, and G. Falkenberg, Fast X-ray microfluorescence imaging with submicrometer-resolution integrating a Maia detector at beamline P06 at PETRA III, J. Synchrotron. Radiat. 23, 1550 (2016).
- C. Ossig, C. Strelow, J. Flügge, S. Patjens, J. Garrevoet, K. Spiers, J. L. Barp, J. Hagemann, F. Seiboth, M. De Bastiani, E. Aydin, F. H. Isikgor, S. De Wolf, G. Falkenberg, A. Mews, C. G. Schroer, T. Kipp, and M. E. Stuckelberger, Novel detection scheme for temporal and spectral X-ray optical analysis: Study of triple-cation perovskites, PRX Energy 3, 023011 (2024).
- C. G. Schroer, H.-C. Wille, O. H. Seeck, K. Bagschik, H. Schulte-Schrepping, M. Tischer, H. Graafsma, W. Laasch, K. Baev, S. Klumpp, R. Bartolini, H. Reichert, W. Leemans, and E. Weckert, The synchrotron radiation source PETRA III and its future ultra-low-emittance upgrade PETRA IV, Eur. Phys. J. Plus 137, 1312 (2022).
- B. L. Henke, E. M. Gullikson, and J. C. Davis, X-ray interactions: Photoabsorption, scattering, transmission, and reflection at , , At. Data Nucl. Data Tables 54, 181 (1993).
- B. M. West, M. Stuckelberger, A. Jeffries, S. Gangam, B. Lai, B. Stripe, Jörg Maser, V. Rose, S. Vogt, and M. I. Bertoni, X-ray fluorescence at nanoscale resolution for multicomponent layered structures: A solar cell case study, J. Synchrotron. Radiat. 24, 288 (2017).
- A. Stierle, T. F. Keller, H. Noei, V. Vonk, and R. Roehlsberger, DESY NanoLab, J. Large-Scale Res. Facil. 2, A76 (2016).
- See Supplemental Material at http://link.aps.org/supplemental/10.1103/56gn-4mgn for details.
- G. Stechmann, S. Zaefferer, P. Konijnenberg, D. Raabe, C. Gretener, L. Kranz, J. Perrenoud, S. Buecheler, and A. N. Tiwari, 3-dimensional microstructural characterization of absorber layers from thin film solar cells, Sol. Energy Mater. Sol. Cells 151, 66 (2016).
- G. Stechmann, S. Zaefferer, T. Schwarz, P. Konijnenberg, D. Raabe, C. Gretener, L. Kranz, J. Perrenoud, S. Buecheler, and A. Nath Tiwari, A correlative investigation of grain boundary crystallography and electronic properties in thin film solar cells, Sol. Energy Mater. Sol. Cells 166, 108 (2017).
- A. Abbas, G. West, J. Bowers, P. Kaminski, B. Maniscalco, J. Walls, W. Sampath, and K. Barth, Cadmium chloride assisted re-crystallization of : The effect of the annealing temperature, in 2013 IEEE 39th Photovoltaic Specialists Conference (PVSC) (IEEE, Tampa, FL, 2013), pp. 0356–0361.
- S. Kumari, P. Dadheech, and M. Dhaka, Exploring the impact of different annealing conditions on physical properties of thin films for solar cell absorber layer applications, Inorg. Chem. Commun. 159, 111779 (2024).
- S. Rojsatien, T. Walker, N. Mohan Kumar, B. Lai, E. Colegrove, and M. I. Bertoni, Selenium migration and local structures in Cu-doped solar cells after aging, Adv. Funct. Mater. 35, e18977 (2025).
- X. Zheng, D. Kuciauskas, J. Moseley, E. Colegrove, D. S. Albin, H. Moutinho, J. N. Duenow, T. Ablekim, S. P. Harvey, A. Ferguson, and W. K. Metzger, Recombination and bandgap engineering in solar cells, APL Mater. 7, 071112 (2019).
- H. Moutinho, J. Moseley, M. Romero, R. Dhere, C.-S. Jiang, K. Jones, J. Duenow, Y. Yan, and M. Al-Jassim, Grain boundary character and recombination properties in thin films, in 2013 IEEE 39th Photovoltaic Specialists Conference (PVSC) (IEEE, Tampa, FL, 2013), pp. 3249–3254.
- J. Moseley, M. M. Al-Jassim, D. Kuciauskas, H. R. Moutinho, N. Paudel, H. L. Guthrey, Y. Yan, W. K. Metzger, and R. K. Ahrenkiel, Cathodoluminescence analysis of grain boundaries and grain interiors in thin-film , IEEE J. Photovoltaics 4, 1671 (2014).
- J. Moseley, W. K. Metzger, H. R. Moutinho, N. Paudel, H. L. Guthrey, Y. Yan, R. K. Ahrenkiel, and M. M. Al-Jassim, Recombination by grain-boundary type in , J. Appl. Phys. 118, 025702 (2015).
- A. Shah, A. H. Munshi, A. P. Nicholson, A. Thiyagarajan, U. M. Pozzoni, and W. S. Sampath, Atomistic modeling of energy band alignment in surfaces, Appl. Surf. Sci. 544, 148762 (2021).
- M. K. Jamarkattel, A. B. Phillips, K. Khanal Subedi, E. Bastola, J. M. Gibbs, J. D. Friedl, S. Rijal, D. Pokhrel, R. A. Awni, D.-B. Li, J. Farrell, R. F. Klie, X. Mathew, Y. Yan, R. J. Ellingson, and M. J. Heben, Improving devices with a back buffer layer of , IEEE J. Photovoltaics 12, 16 (2021).
- R. Mallick, X. Li, C. Reich, X. Shan, W. Zhang, T. Nagle, L. Bok, E. Bicakci, N. Rosenblatt, D. Modi, R. Farshchi, C. Lee, J. Hack, S. Grover, N. Wolf, W. K. Metzger, D. Lu, and G. Xiong, Arsenic-doped solar cells achieve world record 22.3% efficiency, IEEE J. Photovoltaics 13, 510 (2023).
- A. Onno, C. Reich, S. Li, A. Danielson, W. Weigand, A. Bothwell, S. Grover, J. Bailey, G. Xiong, D. Kuciauskas, W. Sampath, and Z. C. Holman, Understanding what limits the voltage of polycrystalline solar cells, Nat. Energy 7, 400 (2022).
- D. L. McGott, B. Good, B. Fluegel, J. N. Duenow, C. A. Wolden, and M. O. Reese, Carrier lifetime as a function of se content for films grown on and , in 2021 IEEE 48th Photovoltaic Specialists Conference (PVSC) (IEEE, Fort Lauderdale, FL, 2021), pp. 1301–1303.
- J. Hllibrand and R. Gold, Determination of the impurity distribution in junction diodes from capacitance-voltage measurements, in Semiconductor Devices: Pioneering Papers (World Scientific, Singapore, 1991), pp. 191–198.
- C. A. Schneider, W. S. Rasband, and K. W. Eliceiri, NIH image to ImageJ: 25 years of image analysis, Nat. Methods 9, 671 (2012).
- B. M. West, M. Stuckelberger, H. Guthrey, L. Chen, B. Lai, Jörg Maser, V. Rose, W. Shafarman, M. Al-Jassim, and M. I. Bertoni, Grain engineering: How nanoscale inhomogeneities can control charge collection in solar cells, Nano Energy 32, 488 (2017).
- E. Artegiani, P. Punathil, V. Kumar, M. Bertoncello, M. Meneghini, A. Gasparotto, and A. Romeo, Effects of cdte selenization on the electrical properties of the absorber for the fabrication of based solar cells, Sol. Energy 227, 8 (2021).
- E. Artegiani, A. Gasparotto, M. Meneghini, G. Meneghesso, and A. Romeo, How the selenium distribution in affects the carrier properties of solar cells, Sol. Energy 260, 11 (2023).
- M. H. Rahman, S. Rojsatien, D. Krasikov, M. K. Y. Chan, M. Bertoni, and A. Mannodi-Kanakkithodi, First principles investigation of dopants and defect complexes in , Sol. Energy Mater. Sol. Cells 293, 113857 (2025).
- G. Kartopu, O. Oklobia, D. Turkay, D. R. Diercks, B. P. Gorman, V. Barrioz, S. Campbell, J. D. Major, M. K. Al Turkestani, S. Yerci, T. M. Barnes, N. S. Beattie, G. Zoppi, S. Jones, and S. J. C. Irvine, Study of thin film poly-crystalline solar cells presenting high acceptor concentrations achieved by in-situ arsenic doping, Sol. Energy Mater. Sol. Cells 194, 259 (2019).
- 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).
- J. Ma, D. Kuciauskas, D. Albin, R. Bhattacharya, M. Reese, T. Barnes, J. V. Li, T. Gessert, and S.-H. Wei, Dependence of the minority-carrier lifetime on the stoichiometry of using time-resolved photoluminescence and first-principles calculations, Phys. Rev. Lett. 111, 067402 (2013).
- E. Artegiani, J. D. Major, H. Shiel, V. Dhanak, C. Ferrari, and A. Romeo, How the amount of copper influences the formation and stability of defects in solar cells, Sol. Energy Mater. Sol. Cells 204, 110228 (2020).
- J. Barbolla, S. Dueñas, and L. Bailón, Admittance spectroscopy in junctions, Solid-State Electron. 35, 285 (1992).
- J. V. Li, Defect characterization using raw admittance spectroscopy, J. Phys. Chem. C 125, 2860 (2021).
- S. C. Selvaraj, S. Gupta, D. Caliste, and P. Pochet, Passivation mechanism in solar cells: The hybrid role of Se, Appl. Phys. Lett. 119, 062105 (2021).
- A. Shah, R. Pandey, A. Nicholson, Z. Lustig, A. Abbas, A. Danielson, J. Walls, A. Munshi, and W. Sampath, Understanding the role of in polycrystalline -graded bilayer photovoltaic devices, Solar RRL 5, 2100523 (2021).
- S.-H. Wei, S. B. Zhang, and A. Zunger, First-principles calculation of band offsets, optical bowings, and defects in , , , and their alloys, J. Appl. Phys. 87, 1304 (2000).
- J. Guo, A. Mannodi-Kanakkithodi, F. G. Sen, E. Schwenker, E. S. Barnard, A. Munshi, W. Sampath, M. K. Y. Chan, and R. F. Klie, Effect of selenium and chlorine co-passivation in polycrystalline devices, Appl. Phys. Lett. 115, 153901 (2019).
- X. Zheng, E. Colegrove, J. N. Duenow, J. Moseley, and W. K. Metzger, Roles of bandgrading, lifetime, band alignment, and carrier concentration in high-efficiency solar cells, J. Appl. Phys. 128, 053102 (2020).
- M. Stuckelberger, B. West, T. Nietzold, B. Lai, Jörg M. Maser, V. Rose, and M. I. Bertoni, Review: Engineering solar cells based on correlative X-ray microscopy, J. Mater. Res. 32, 1825 (2017).
- R. Gul, U. N. Roy, S. U. Egarievwe, A. E. Bolotnikov, G. S. Camarda, Y. Cui, A. Hossain, G. Yang, and R. B. James, Point defects: Their influence on electron trapping, resistivity, and electron mobility-lifetime product in detectors, J. Appl. Phys. 119, 025702 (2016).
- E. Colegrove, B. Good, A. Abbas, H. Moutinho, S. Johnston, C.-S. Jiang, P. OKeefe, J. M. Walls, D. S. Albin, and M. O. Reese, Investigating the role of copper in arsenic doped photovoltaics, Sol. Energy Mater. Sol. Cells 246, 111886 (2022).
- C. Ossig, T. Nietzold, B. M. West, M. I. Bertoni, G. Falkenberg, C. G. Schroer, and M. E. Stuckelberger, X-ray beam induced current measurements for multi-modal X-ray microscopy of solar cells, J. Visualized Exp. 150, e60001 (2019).
- J. Garrevoet, A framework for data processing used at the hard x-ray micro/nano probe at PETRA III based on micro-services, J. Phys. Conf. Ser. 3010, 012136 (2025).
- V. A. Solé, E. Papillon, M. Cotte, P. Walter, and J. Susini, A multiplatform code for the analysis of energy-dispersive X-ray fluorescence spectra, Spectrochim. Acta Part B 62, 63 (2007).
- A. Kanevce, D. H. Levi, and D. Kuciauskas, The role of drift, diffusion, and recombination in time-resolved photoluminescence of solar cells determined through numerical simulation, Prog. Photovoltaics 22, 1138 (2014).
- W. K. Metzger, R. K. Ahrenkiel, J. Dashdorj, and D. J. Friedman, Analysis of charge separation dynamics in a semiconductor junction, Phys. Rev. B 71, 035301 (2005).
- 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).
- D. Kuciauskas, J. Moseley, and C. Lee, Identification of recombination losses in solar cells from spectroscopic and microscopic time-resolved photoluminescence, Solar RRL 5, 2000775 (2021).
- 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).
- W. K. Metzger, D. Albin, D. Levi, P. Sheldon, X. Li, B. M. Keyes, and R. K. Ahrenkiel, Time-resolved photoluminescence studies of solar cells, J. Appl. Phys. 94, 3549 (2003).
- J. Moseley, P. Rale, Séphane Collin, E. Colegrove, H. Guthrey, D. Kuciauskas, H. Moutinho, M. Al-Jassim, and W. K. Metzger, Luminescence methodology to determine grain-boundary, grain-interior, and surface recombination in thin-film solar cells, J. Appl. Phys. 124, 113104 (2018).
- A. Sillen and Y. Engelborghs, The correct use of “average” fluorescence parameters, Photochem. Photobiol. 67, 475 (1998).
- E. Fišerová and M. Kubala, Mean fluorescence lifetime and its error, J. Lumin. 132, 2059 (2012).
- M. Ochoa, S.-Chi Yang, S. Nishiwaki, A. N. Tiwari, and R. Carron, Charge carrier lifetime fluctuations and performance evaluation of absorbers via time-resolved-photoluminescence microscopy, Adv. Energy Mater. 12, 2102800 (2022).
- J. L. Barp, Jr. et al., Dataset for: Impact of the annealing temperature on the local Se distribution and optical properties in solar cells by multimodal x-ray microscopy, 10.5281/zenodo.21284440 (2026).
