[{"department":[{"_id":"613"}],"user_id":"71692","_id":"19823","project":[{"_id":"52","name":"Computing Resources Provided by the Paderborn Center for Parallel Computing"}],"language":[{"iso":"eng"}],"keyword":["Chalcopyrite absorber","Scanning tunneling spectroscopy","Electron backscatter diffraction","Density functional theory","Surface dipole"],"publication":"Acta Materialia","type":"journal_article","status":"public","abstract":[{"lang":"eng","text":"Individual grains of chalcopyrite solar cell absorbers can facet in different crystallographic directions at their surfaces. To gain a deeper understanding of the junction formation in these devices, we correlate variations in the surface facet orientation with the defect electronic properties. We use a combined analytical approach based on scanning tunneling spectroscopy (STS), scanning electron microscopy, and electron back scatter diffraction (EBSD), where we perform these experiments on identical surface areas as small as 2 × 2 µm2 with a lateral resolution well below 50 nm. The topography of the absorber surfaces indicates two main morphological features: micro-faceted, long basalt-like columns and their short nano-faceted terminations. Our STS results reveal that the long columns exhibit spectral signatures typical for the presence of pronounced oxidation-induced surface dipoles in conjunction with an increased density of electronic defect levels. In contrast, the nano-faceted terminations of the basalt-like columns are largely passivated in terms of electronic defect levels within the band gap region. Corresponding crystallographic data based on EBSD experiments show that the surface of the basalt-like columns can be assigned to intrinsically polar facet orientations, while the passivated terminations are assigned to non-polar planes. Ab-initio calculations suggest that the polar surfaces are more prone to oxidation and resulting O-induced defects, in comparison to non-polar planes. Our results emphasize the correlation between morphology, surface facet orientations and surface electronic properties. Furthermore, this work aids in gaining a fundamental understanding of oxidation induced lateral inhomogeneities in view of the p-n junction formation in chalcopyrite thin-film solar cells."}],"volume":200,"author":[{"last_name":"Elizabeth","full_name":"Elizabeth, Amala","first_name":"Amala"},{"last_name":"Conradi","full_name":"Conradi, Hauke","first_name":"Hauke"},{"last_name":"K. Sahoo","full_name":"K. Sahoo, Sudhir","first_name":"Sudhir"},{"last_name":"Kodalle","full_name":"Kodalle, Tim","first_name":"Tim"},{"full_name":"A. Kaufmann, Christian","last_name":"A. Kaufmann","first_name":"Christian"},{"first_name":"Thomas","last_name":"Kühne","full_name":"Kühne, Thomas","id":"49079"},{"orcid":"https://orcid.org/0000-0001-6179-1545","last_name":"Mirhosseini","full_name":"Mirhosseini, Hossein","id":"71051","first_name":"Hossein"},{"first_name":"Daniel","last_name":"Abou-Ras","full_name":"Abou-Ras, Daniel"},{"last_name":"Mönig","full_name":"Mönig, Harry","first_name":"Harry"}],"date_created":"2020-10-01T09:19:55Z","date_updated":"2022-01-06T06:54:13Z","doi":"https://doi.org/10.1016/j.actamat.2020.09.028","title":"Correlating facet orientation, defect-level density and dipole layer formation at the surface of polycrystalline CuInSe2 thin films","publication_identifier":{"issn":["1359-6454"]},"intvolume":"       200","citation":{"apa":"Elizabeth, A., Conradi, H., K. Sahoo, S., Kodalle, T., A. Kaufmann, C., Kühne, T., … Mönig, H. (2020). Correlating facet orientation, defect-level density and dipole layer formation at the surface of polycrystalline CuInSe2 thin films. <i>Acta Materialia</i>, <i>200</i>. <a href=\"https://doi.org/10.1016/j.actamat.2020.09.028\">https://doi.org/10.1016/j.actamat.2020.09.028</a>","short":"A. Elizabeth, H. Conradi, S. K. Sahoo, T. Kodalle, C. A. Kaufmann, T. Kühne, H. Mirhosseini, D. Abou-Ras, H. Mönig, Acta Materialia 200 (2020).","bibtex":"@article{Elizabeth_Conradi_K. Sahoo_Kodalle_A. Kaufmann_Kühne_Mirhosseini_Abou-Ras_Mönig_2020, title={Correlating facet orientation, defect-level density and dipole layer formation at the surface of polycrystalline CuInSe2 thin films}, volume={200}, DOI={<a href=\"https://doi.org/10.1016/j.actamat.2020.09.028\">https://doi.org/10.1016/j.actamat.2020.09.028</a>}, journal={Acta Materialia}, author={Elizabeth, Amala and Conradi, Hauke and K. Sahoo, Sudhir and Kodalle, Tim and A. Kaufmann, Christian and Kühne, Thomas and Mirhosseini, Hossein and Abou-Ras, Daniel and Mönig, Harry}, year={2020} }","mla":"Elizabeth, Amala, et al. “Correlating Facet Orientation, Defect-Level Density and Dipole Layer Formation at the Surface of Polycrystalline CuInSe2 Thin Films.” <i>Acta Materialia</i>, vol. 200, 2020, doi:<a href=\"https://doi.org/10.1016/j.actamat.2020.09.028\">https://doi.org/10.1016/j.actamat.2020.09.028</a>.","ama":"Elizabeth A, Conradi H, K. Sahoo S, et al. Correlating facet orientation, defect-level density and dipole layer formation at the surface of polycrystalline CuInSe2 thin films. <i>Acta Materialia</i>. 2020;200. doi:<a href=\"https://doi.org/10.1016/j.actamat.2020.09.028\">https://doi.org/10.1016/j.actamat.2020.09.028</a>","ieee":"A. Elizabeth <i>et al.</i>, “Correlating facet orientation, defect-level density and dipole layer formation at the surface of polycrystalline CuInSe2 thin films,” <i>Acta Materialia</i>, vol. 200, 2020.","chicago":"Elizabeth, Amala, Hauke Conradi, Sudhir K. Sahoo, Tim Kodalle, Christian A. Kaufmann, Thomas Kühne, Hossein Mirhosseini, Daniel Abou-Ras, and Harry Mönig. “Correlating Facet Orientation, Defect-Level Density and Dipole Layer Formation at the Surface of Polycrystalline CuInSe2 Thin Films.” <i>Acta Materialia</i> 200 (2020). <a href=\"https://doi.org/10.1016/j.actamat.2020.09.028\">https://doi.org/10.1016/j.actamat.2020.09.028</a>."},"year":"2020"}]