Matches in SemOpenAlex for { <https://semopenalex.org/work/W4366138902> ?p ?o ?g. }
- W4366138902 endingPage "295801" @default.
- W4366138902 startingPage "295801" @default.
- W4366138902 abstract "Abstract Inducing local spin-polarization in pristine graphene is highly desirable and recent experiment shows that boron adatom chemical attachment to graphene exhibits local high spin state. Using hybrid exchange-correlation functional, we show that boron (B) monomer chemisorbed on the bridge site of graphene is energically favorable, and indeed induces a weak local spin-polarization ∼0.56 μ B. The localized magnetic moment can be attributed to the charge transfer from boron atom to graphene, resulting in local spin charge dominantly surrounding to the adsorbed B and neighboring carbon (C) atoms. We also surprisingly find that boron dimer can even much more stable upright anchor the same site of graphene, giving rise to sizable spin magnetic moment 2.00 μ B. Although the apparent spin state remains mainly contributed by B p and C p orbitals as the case of boron monomer, the delicate and substantial charge transfer of the intra-dimer plays a fundamental role in producing such sizable local spin-polarization. We employed various van der Waals corrections to check and confirm the validity of appeared local spin-polarization. In terms of the almost identical simulated scanning tunneling microscope between boron monomer and dimer, we might tend to support the fact that boron dimer can also be chemisorbed on graphene with much larger and stable localized spin magnetic moment." @default.
- W4366138902 created "2023-04-19" @default.
- W4366138902 creator A5030856510 @default.
- W4366138902 creator A5059967518 @default.
- W4366138902 creator A5072265539 @default.
- W4366138902 creator A5074992616 @default.
- W4366138902 creator A5088006551 @default.
- W4366138902 date "2023-04-26" @default.
- W4366138902 modified "2023-09-28" @default.
- W4366138902 title "Localized magnetic moment induced by boron adatoms chemisorbed on graphene" @default.
- W4366138902 cites W1534575403 @default.
- W4366138902 cites W1908483906 @default.
- W4366138902 cites W1966096736 @default.
- W4366138902 cites W1970127494 @default.
- W4366138902 cites W1978619733 @default.
- W4366138902 cites W1981368803 @default.
- W4366138902 cites W2000997255 @default.
- W4366138902 cites W2005035428 @default.
- W4366138902 cites W2005234587 @default.
- W4366138902 cites W2007305394 @default.
- W4366138902 cites W2017120884 @default.
- W4366138902 cites W2018970165 @default.
- W4366138902 cites W2020072134 @default.
- W4366138902 cites W2021524352 @default.
- W4366138902 cites W2044591029 @default.
- W4366138902 cites W2059885388 @default.
- W4366138902 cites W2062557635 @default.
- W4366138902 cites W2066009637 @default.
- W4366138902 cites W2069520391 @default.
- W4366138902 cites W2071091014 @default.
- W4366138902 cites W2077878554 @default.
- W4366138902 cites W2082535619 @default.
- W4366138902 cites W2083222334 @default.
- W4366138902 cites W2083912850 @default.
- W4366138902 cites W2085093563 @default.
- W4366138902 cites W2088434378 @default.
- W4366138902 cites W2092157292 @default.
- W4366138902 cites W2092831789 @default.
- W4366138902 cites W2096747776 @default.
- W4366138902 cites W2098733067 @default.
- W4366138902 cites W2105685140 @default.
- W4366138902 cites W2113674800 @default.
- W4366138902 cites W2116944962 @default.
- W4366138902 cites W2118678334 @default.
- W4366138902 cites W2141260394 @default.
- W4366138902 cites W2141484758 @default.
- W4366138902 cites W2146325398 @default.
- W4366138902 cites W2149391393 @default.
- W4366138902 cites W2151667040 @default.
- W4366138902 cites W2256565516 @default.
- W4366138902 cites W2316854365 @default.
- W4366138902 cites W2322691858 @default.
- W4366138902 cites W2331927912 @default.
- W4366138902 cites W2337667629 @default.
- W4366138902 cites W2416555086 @default.
- W4366138902 cites W2517744486 @default.
- W4366138902 cites W2768009735 @default.
- W4366138902 cites W2790780193 @default.
- W4366138902 cites W2885642568 @default.
- W4366138902 cites W2899824724 @default.
- W4366138902 cites W2908420861 @default.
- W4366138902 cites W2913378542 @default.
- W4366138902 cites W2944165179 @default.
- W4366138902 cites W2952070926 @default.
- W4366138902 cites W2952471925 @default.
- W4366138902 cites W2984224414 @default.
- W4366138902 cites W3043633608 @default.
- W4366138902 cites W3048223601 @default.
- W4366138902 cites W3058327804 @default.
- W4366138902 cites W3098478483 @default.
- W4366138902 cites W3101650661 @default.
- W4366138902 cites W3102414149 @default.
- W4366138902 cites W4283259935 @default.
- W4366138902 cites W4283313089 @default.
- W4366138902 cites W4292455781 @default.
- W4366138902 cites W4301430874 @default.
- W4366138902 doi "https://doi.org/10.1088/1361-648x/accdad" @default.
- W4366138902 hasPubMedId "https://pubmed.ncbi.nlm.nih.gov/37068487" @default.
- W4366138902 hasPublicationYear "2023" @default.
- W4366138902 type Work @default.
- W4366138902 citedByCount "0" @default.
- W4366138902 crossrefType "journal-article" @default.
- W4366138902 hasAuthorship W4366138902A5030856510 @default.
- W4366138902 hasAuthorship W4366138902A5059967518 @default.
- W4366138902 hasAuthorship W4366138902A5072265539 @default.
- W4366138902 hasAuthorship W4366138902A5074992616 @default.
- W4366138902 hasAuthorship W4366138902A5088006551 @default.
- W4366138902 hasConcept C121332964 @default.
- W4366138902 hasConcept C147120987 @default.
- W4366138902 hasConcept C159467904 @default.
- W4366138902 hasConcept C171250308 @default.
- W4366138902 hasConcept C178790620 @default.
- W4366138902 hasConcept C185592680 @default.
- W4366138902 hasConcept C192562407 @default.
- W4366138902 hasConcept C21690051 @default.
- W4366138902 hasConcept C26873012 @default.
- W4366138902 hasConcept C2779546866 @default.
- W4366138902 hasConcept C30080830 @default.