FRINK Linked Data Fragments server

Matches in SemOpenAlex for { <https://semopenalex.org/work/W2067029153> ?p ?o ?g. }

• W2067029153 endingPage "14841" @default.
• W2067029153 startingPage "14832" @default.
• W2067029153 abstract "The structural, energetic, and electronic properties of the Li/graphite system are studied through density functional theory (DFT) calculations using both the local spin density approximation (LSDA), and the gradient-corrected Perdew-Burke-Ernzerhof (PBE) approximation to the exchange-correlation energy. The calculations were performed using plane waves basis, and the electron-core interactions are described using pseudopotentials. We consider a disperse phase of the adsorbate comprising one Li atom for each 16 graphite surface cells, in a slab geometry. The close contact between the Li nucleus and the graphene plane results in a relatively large binding energy (larger than 1.1 eV). A detailed analysis of the electronic charge distribution, density difference distribution, and band structures indicates that one valence electron is entirely transferred from the atom to the surface, which gives rise to a strong interaction between the resulting lithium ion and the cloud of pi electrons in the substrate. We show that it is possible to explain the differences in the binding of Li, Na, and K adatoms on graphite considering the properties of the corresponding cation/aromatic complexes." @default.
• W2067029153 created "2016-06-24" @default.
• W2067029153 creator A5005241513 @default.
• W2067029153 creator A5050865289 @default.
• W2067029153 creator A5055627903 @default.
• W2067029153 creator A5064664549 @default.
• W2067029153 date "2006-07-13" @default.
• W2067029153 modified "2023-10-05" @default.
• W2067029153 title "Lithium Adsorption on Graphite from Density Functional Theory Calculations" @default.
• W2067029153 cites W105839754 @default.
• W2067029153 cites W1498071248 @default.
• W2067029153 cites W1654017937 @default.
• W2067029153 cites W1949231392 @default.
• W2067029153 cites W1965243087 @default.
• W2067029153 cites W1970370529 @default.
• W2067029153 cites W1975663359 @default.
• W2067029153 cites W1979858085 @default.
• W2067029153 cites W1981107570 @default.
• W2067029153 cites W1981368803 @default.
• W2067029153 cites W1982374650 @default.
• W2067029153 cites W1983266717 @default.
• W2067029153 cites W1983275567 @default.
• W2067029153 cites W1987977443 @default.
• W2067029153 cites W1991629877 @default.
• W2067029153 cites W1995353744 @default.
• W2067029153 cites W1995822200 @default.
• W2067029153 cites W2005136695 @default.
• W2067029153 cites W2008816249 @default.
• W2067029153 cites W2009645599 @default.
• W2067029153 cites W2018012227 @default.
• W2067029153 cites W2018432014 @default.
• W2067029153 cites W2018555827 @default.
• W2067029153 cites W2020334317 @default.
• W2067029153 cites W2021796536 @default.
• W2067029153 cites W2029703091 @default.
• W2067029153 cites W2030303568 @default.
• W2067029153 cites W2030582590 @default.
• W2067029153 cites W2030591142 @default.
• W2067029153 cites W2031833592 @default.
• W2067029153 cites W2032809112 @default.
• W2067029153 cites W2034133770 @default.
• W2067029153 cites W2036981602 @default.
• W2067029153 cites W2037342815 @default.
• W2067029153 cites W2040099047 @default.
• W2067029153 cites W2050510499 @default.
• W2067029153 cites W2052637367 @default.
• W2067029153 cites W2052980547 @default.
• W2067029153 cites W2054761042 @default.
• W2067029153 cites W2059453181 @default.
• W2067029153 cites W2065343395 @default.
• W2067029153 cites W2068655610 @default.
• W2067029153 cites W2068972463 @default.
• W2067029153 cites W2073065240 @default.
• W2067029153 cites W2073140520 @default.
• W2067029153 cites W2073296548 @default.
• W2067029153 cites W2085564619 @default.
• W2067029153 cites W2087585288 @default.
• W2067029153 cites W2088569907 @default.
• W2067029153 cites W2089226447 @default.
• W2067029153 cites W2091156641 @default.
• W2067029153 cites W2092583785 @default.
• W2067029153 cites W2095525783 @default.
• W2067029153 cites W2113074178 @default.
• W2067029153 cites W2127499154 @default.
• W2067029153 cites W2137710436 @default.
• W2067029153 cites W2164805481 @default.
• W2067029153 cites W2168902243 @default.
• W2067029153 cites W4211028319 @default.
• W2067029153 doi "https://doi.org/10.1021/jp062126+" @default.
• W2067029153 hasPubMedId "https://pubmed.ncbi.nlm.nih.gov/16869593" @default.
• W2067029153 hasPublicationYear "2006" @default.
• W2067029153 type Work @default.
• W2067029153 sameAs 2067029153 @default.
• W2067029153 citedByCount "115" @default.
• W2067029153 countsByYear W20670291532012 @default.
• W2067029153 countsByYear W20670291532013 @default.
• W2067029153 countsByYear W20670291532014 @default.
• W2067029153 countsByYear W20670291532015 @default.
• W2067029153 countsByYear W20670291532016 @default.
• W2067029153 countsByYear W20670291532017 @default.
• W2067029153 countsByYear W20670291532018 @default.
• W2067029153 countsByYear W20670291532019 @default.
• W2067029153 countsByYear W20670291532020 @default.
• W2067029153 countsByYear W20670291532021 @default.
• W2067029153 countsByYear W20670291532022 @default.
• W2067029153 countsByYear W20670291532023 @default.
• W2067029153 crossrefType "journal-article" @default.
• W2067029153 hasAuthorship W2067029153A5005241513 @default.
• W2067029153 hasAuthorship W2067029153A5050865289 @default.
• W2067029153 hasAuthorship W2067029153A5055627903 @default.
• W2067029153 hasAuthorship W2067029153A5064664549 @default.
• W2067029153 hasConcept C121332964 @default.
• W2067029153 hasConcept C134018914 @default.
• W2067029153 hasConcept C145148216 @default.
• W2067029153 hasConcept C147120987 @default.
• W2067029153 hasConcept C147597530 @default.
• W2067029153 hasConcept C149635348 @default.
• W2067029153 hasConcept C150708132 @default.

• next