Matches in SemOpenAlex for { <https://semopenalex.org/work/W2018432014> ?p ?o ?g. }
Showing items 1 to 85 of
85
with 100 items per page.
- W2018432014 endingPage "4796" @default.
- W2018432014 startingPage "4788" @default.
- W2018432014 abstract "The K/graphite adsorption system is studied in a cluster model using ab initio density-functional methods. From the investigation of the potential energy surface a lower bound for the potassium atom binding energy 1.5 eV is obtained, and a surface diffusion barrier of 0.2 eV. To simulate experimentally reported thermal desorption spectra, a two-phase kinetic model is investigated and a desorption energy of 1 eV is found. The thermally activated surface diffusion of K atoms leads to intercalation at defects or steps, which is followed by desorption when further heating the sample. A normal mode analysis yields a K-graphite in-phase and out-of-phase vibrational mode with an energy split of 8 meV, which indicates a relatively strong dynamical coupling between the adsorbed K atom and the graphite substrate. The calculated electron density distribution is verified by an accurate reproduction of the measured dipole moment. From a projected density of state analysis we find a K 4s and an antibonding K 4p resonance located slightly above and 2.6 eV above the Fermi level, respectively. The location of the K 4s resonance, with a lower occupied tail, is consistent with an incomplete charge transfer, and the location of the K 4p resonance is consistent with a proposed hot-electron model to explain recent photodesorption data. The new assignment of the K-induced states near the Fermi level resolves previous apparent discrepancies of the charge state of the dispersed K atom." @default.
- W2018432014 created "2016-06-24" @default.
- W2018432014 creator A5042722466 @default.
- W2018432014 creator A5082940368 @default.
- W2018432014 creator A5087276536 @default.
- W2018432014 date "2000-03-08" @default.
- W2018432014 modified "2023-09-25" @default.
- W2018432014 title "Electronic structure and kinetics of K on graphite" @default.
- W2018432014 cites W1965752441 @default.
- W2018432014 cites W2007844761 @default.
- W2018432014 cites W2009987446 @default.
- W2018432014 cites W2018012227 @default.
- W2018432014 cites W2019776574 @default.
- W2018432014 cites W2021796536 @default.
- W2018432014 cites W2024398040 @default.
- W2018432014 cites W2029703091 @default.
- W2018432014 cites W2030303568 @default.
- W2018432014 cites W2030648722 @default.
- W2018432014 cites W2030687437 @default.
- W2018432014 cites W2033765814 @default.
- W2018432014 cites W2034133770 @default.
- W2018432014 cites W2038533471 @default.
- W2018432014 cites W2046041758 @default.
- W2018432014 cites W2047413091 @default.
- W2018432014 cites W2049904901 @default.
- W2018432014 cites W2050510499 @default.
- W2018432014 cites W2054038681 @default.
- W2018432014 cites W2057410854 @default.
- W2018432014 cites W2059453181 @default.
- W2018432014 cites W2076566011 @default.
- W2018432014 cites W2086957099 @default.
- W2018432014 cites W2094921287 @default.
- W2018432014 cites W2168902243 @default.
- W2018432014 cites W4243410300 @default.
- W2018432014 doi "https://doi.org/10.1063/1.481083" @default.
- W2018432014 hasPublicationYear "2000" @default.
- W2018432014 type Work @default.
- W2018432014 sameAs 2018432014 @default.
- W2018432014 citedByCount "28" @default.
- W2018432014 countsByYear W20184320142015 @default.
- W2018432014 countsByYear W20184320142017 @default.
- W2018432014 countsByYear W20184320142020 @default.
- W2018432014 countsByYear W20184320142021 @default.
- W2018432014 countsByYear W20184320142022 @default.
- W2018432014 crossrefType "journal-article" @default.
- W2018432014 hasAuthorship W2018432014A5042722466 @default.
- W2018432014 hasAuthorship W2018432014A5082940368 @default.
- W2018432014 hasAuthorship W2018432014A5087276536 @default.
- W2018432014 hasConcept C121332964 @default.
- W2018432014 hasConcept C139210041 @default.
- W2018432014 hasConcept C149635348 @default.
- W2018432014 hasConcept C184779094 @default.
- W2018432014 hasConcept C185592680 @default.
- W2018432014 hasConcept C41008148 @default.
- W2018432014 hasConcept C41999313 @default.
- W2018432014 hasConcept C58312451 @default.
- W2018432014 hasConceptScore W2018432014C121332964 @default.
- W2018432014 hasConceptScore W2018432014C139210041 @default.
- W2018432014 hasConceptScore W2018432014C149635348 @default.
- W2018432014 hasConceptScore W2018432014C184779094 @default.
- W2018432014 hasConceptScore W2018432014C185592680 @default.
- W2018432014 hasConceptScore W2018432014C41008148 @default.
- W2018432014 hasConceptScore W2018432014C41999313 @default.
- W2018432014 hasConceptScore W2018432014C58312451 @default.
- W2018432014 hasIssue "10" @default.
- W2018432014 hasLocation W20184320141 @default.
- W2018432014 hasOpenAccess W2018432014 @default.
- W2018432014 hasPrimaryLocation W20184320141 @default.
- W2018432014 hasRelatedWork W1974268135 @default.
- W2018432014 hasRelatedWork W1975609418 @default.
- W2018432014 hasRelatedWork W1995639166 @default.
- W2018432014 hasRelatedWork W2007933047 @default.
- W2018432014 hasRelatedWork W2085261088 @default.
- W2018432014 hasRelatedWork W2088666130 @default.
- W2018432014 hasRelatedWork W2091173116 @default.
- W2018432014 hasRelatedWork W2617567627 @default.
- W2018432014 hasRelatedWork W3022851043 @default.
- W2018432014 hasRelatedWork W2045758003 @default.
- W2018432014 hasVolume "112" @default.
- W2018432014 isParatext "false" @default.
- W2018432014 isRetracted "false" @default.
- W2018432014 magId "2018432014" @default.
- W2018432014 workType "article" @default.