{"paper":{"title":"Atomic adsorption on graphene with a single vacancy: systematic DFT study through the Periodic Table of Elements","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) Serbian Academy of Sciences, (4) Department of Physics, 5), 5) ((1) University of Belgrade - Faculty of Physical Chemistry, (5) Department of Materials Science, Aleksandar Jovanovi\\'c (1, Ana S. Dobrota (1), Arts, Astronomy, Austria, Belgrade, B\\\"orje Johansson (4, Engineering, Igor A. Pa\\v{s}ti (1), KTH - Royal Institute of Technology, Management, Natalia V. Skorodumova (4, School of Industrial Engineering, Serbia, Slavko V. Mentus (1, Stockholm, Sweden, Sweden), Uppsala, Uppsala University, Wiener Neustadt","submitted_at":"2017-10-27T11:39:56Z","abstract_excerpt":"Vacancies in graphene present sites of altered chemical reactivity and open possibilities to tune graphene properties by defect engineering. The understanding of chemical reactivity of such defects is essential for successful implementation of carbon materials in advanced technologies. We report the results of a systematic DFT study of atomic adsorption on graphene with a single vacancy for the elements of rows 1 to 6 of the Periodic Table of Elements (PTE), excluding lanthanides. The calculations have been performed using PBE, long-range dispersion interaction-corrected PBE (PBE+D2 and PBE+D3"},"claims":{"count":0,"items":[],"snapshot_sha256":"258153158e38e3291e3d48162225fcdb2d5a3ed65a07baac614ab91432fd4f57"},"source":{"id":"1710.10084","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"}