[{"project":[{"name":"Computing Resources Provided by the Paderborn Center for Parallel Computing","_id":"52"}],"publication_identifier":{"issn":[]},"dini_type":"doc-type:article","department":[{"tree":[{"_id":"2"},{"_id":"35"},{"_id":"44"},{"_id":"43"}],"_id":"613"}],"dc":{"subject":["Chalcopyrite absorber","Scanning tunneling spectroscopy","Electron backscatter diffraction","Density functional theory","Surface dipole"],"rights":["info:eu-repo/semantics/closedAccess"],"language":["eng"],"type":["info:eu-repo/semantics/article","doc-type:article","text","http://purl.org/coar/resource_type/c_6501"],"identifier":["https://ris.uni-paderborn.de/record/19823"],"description":["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."],"relation":["info:eu-repo/semantics/altIdentifier/doi/https://doi.org/10.1016/j.actamat.2020.09.028","info:eu-repo/semantics/altIdentifier/issn/1359-6454"],"date":["2020"],"title":["Correlating facet orientation, defect-level density and dipole layer formation at the surface of polycrystalline CuInSe2 thin films"],"source":["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. Acta Materialia. 2020;200. doi:https://doi.org/10.1016/j.actamat.2020.09.028"],"creator":["Elizabeth, Amala","Conradi, Hauke","K. Sahoo, Sudhir","Kodalle, Tim","A. Kaufmann, Christian","Kühne, Thomas","Mirhosseini, Hossein","Abou-Ras, Daniel","Mönig, Harry"]},"language":[{}],"creator":{"id":"71051","login":"mirhosse"},"date_updated":"2022-01-06T06:54:13Z","date_created":"2020-10-01T09:19:55Z","status":"public","volume":200,"publication":"Acta Materialia","keyword":[],"author":[{"first_name":"Amala","last_name":"Elizabeth"},{"last_name":"Conradi","first_name":"Hauke"},{"first_name":"Sudhir","last_name":"K. Sahoo"},{"last_name":"Kodalle","first_name":"Tim"},{"first_name":"Christian","last_name":"A. Kaufmann"},{"id":"49079","last_name":"Kühne","first_name":"Thomas"},{"first_name":"Hossein","orcid":"https://orcid.org/0000-0001-6179-1545","last_name":"Mirhosseini","id":"71051"},{"last_name":"Abou-Ras","first_name":"Daniel"},{"first_name":"Harry","last_name":"Mönig"}],"user_id":"71692","abstract":[{"lang":"eng"}],"uri_base":"https://ris.uni-paderborn.de","type":"journal_article","citation":{"mla":"Elizabeth, Amala, et al. “Correlating Facet Orientation, Defect-Level Density and Dipole Layer Formation at the Surface of Polycrystalline CuInSe2 Thin Films.” Acta Materialia, vol. 200, 2020, doi:https://doi.org/10.1016/j.actamat.2020.09.028.","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={https://doi.org/10.1016/j.actamat.2020.09.028}, 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} }","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.” Acta Materialia 200 (2020). https://doi.org/10.1016/j.actamat.2020.09.028.","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. Acta Materialia, 200. https://doi.org/10.1016/j.actamat.2020.09.028","ieee":"A. Elizabeth et al., “Correlating facet orientation, defect-level density and dipole layer formation at the surface of polycrystalline CuInSe2 thin films,” Acta Materialia, vol. 200, 2020.","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)."},"_id":"19823","intvolume":" 200"}]