{"paper":{"title":"Tuning the electronic and chemisorption properties of hexagonal MgO nanotubes by doping - Theoretical study","license":"http://arxiv.org/licenses/nonexclusive-distrib/1.0/","headline":"","cross_cats":[],"primary_cat":"cond-mat.mtrl-sci","authors_text":"2), (2) CEST Kompetenzzentrum f\\\"ur elektrochemische Oberfl\\\"achentechnologie GmbH, 3), (3) Department of Materials Science, 4, 4) ((1) University of Belgrade - Faculty of Physical Chemistry, (4) Department of Physics, 5), (5) Humboldt University, Aleksandar Jovanovi\\'c (1, Astronomy, Austria, Belgrade, Berlin, B\\\"orje Johansson (3, Engineering, Germany), Igor A. Pa\\v{s}ti (1, KTH - Royal Institute of Technology, Management, Milena Petkovi\\'c (1), Natalia V.Skorodumova (3, Physics Department, School of Industrial Engineering, Serbia, Stockholm, Sweden, Uppsala, Uppsala University, Wiener Neustadt","submitted_at":"2018-02-23T08:37:12Z","abstract_excerpt":"Oxide materials offer a wide range of interesting physical and chemical properties. Even more versatile behavior of oxides is seen at the nanoscale, qualifying these materials for a number of applications. In this study we used DFT calculations to investigate the physical and chemical properties of small hexagonal MgO nanotubes of different length. We analyzed the effect of Li, B, C, N, and F doping on the properties of the nanotubes. We find that all dopants favor the edge positions when, incorporated into the nanotubes. Doping results in the net magnetization whose value depends on the type "},"claims":{"count":0,"items":[],"snapshot_sha256":"258153158e38e3291e3d48162225fcdb2d5a3ed65a07baac614ab91432fd4f57"},"source":{"id":"1802.08440","kind":"arxiv","version":2},"verdict":{"id":null,"model_set":{},"created_at":null,"strongest_claim":"","one_line_summary":"","pipeline_version":null,"weakest_assumption":"","pith_extraction_headline":""},"references":{"count":0,"sample":[],"resolved_work":0,"snapshot_sha256":"258153158e38e3291e3d48162225fcdb2d5a3ed65a07baac614ab91432fd4f57","internal_anchors":0},"formal_canon":{"evidence_count":0,"snapshot_sha256":"258153158e38e3291e3d48162225fcdb2d5a3ed65a07baac614ab91432fd4f57"},"author_claims":{"count":0,"strong_count":0,"snapshot_sha256":"258153158e38e3291e3d48162225fcdb2d5a3ed65a07baac614ab91432fd4f57"},"builder_version":"pith-number-builder-2026-05-17-v1"}