{"paper":{"title":"Atomic adsorption on pristine graphene along the Periodic Table of Elements - From PBE to non-local functionals","license":"http://arxiv.org/licenses/nonexclusive-distrib/1.0/","headline":"","cross_cats":["cond-mat.mes-hall"],"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) ((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":"2017-10-18T06:18:00Z","abstract_excerpt":"The understanding of atomic adsorption on graphene is of high importance for many advanced technologies. Here we present a complete database of the atomic adsorption energies for the elements of the Periodic Table up to the atomic number 86 (excluding lanthanides) on pristine graphene. The energies have been calculated using the projector augmented wave (PAW) method with PBE, long-range dispersion interaction corrected PBE (PBE+D2, PBE+D3) as well as non-local vdW-DF2 approach. The inclusion of dispersion interactions leads to an exothermic adsorption for all the investigated elements. Dispers"},"claims":{"count":0,"items":[],"snapshot_sha256":"258153158e38e3291e3d48162225fcdb2d5a3ed65a07baac614ab91432fd4f57"},"source":{"id":"1710.08985","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"}