Matches in SemOpenAlex for { <https://semopenalex.org/work/W4381514034> ?p ?o ?g. }
- W4381514034 endingPage "127996" @default.
- W4381514034 startingPage "127996" @default.
- W4381514034 abstract "The electronic and transport properties of a series of covalently functionalized graphene sheets m(FeBz)n-G (m, n = 1, 2) are calculated by density functional theory (DFT) and the nonequilibrium Green's function (NEGF) methods. All the studied systems are chemically stable due to the d–π interaction between Fe and graphene. Addition of (FeBz)n (n = 1, 2) introduces a half-metallic behavior: the up-spin state degradates into a semiconductor channel while the down-spin state behaves as a metallic channel. Particularly, two-fold anisotropy magnetism could be obtained, with the ferromagnetic ordering extending either parallel to the graphene plane originated from the Fe-d up-spin state or perpendicular due to the d-electron coupling along the Fe-Bz-Fe-Bz chain in the down-spin state. Because of the trapping effect, attaching (FeBz)n decreases the conductivity. Anisotropy inherited from graphene after functionalized with (FeBz)n (n = 1, 2): zigzag direction has higher conductivity than armchair direction. The number and alignment style of (FeBz)n (n = 1, 2), and the spin-polarized character, all have impacts on the transport property. Our findings provide useful guidelines for achieving graphene-based electronic and spintronic nanodevices by attaching other similar long multi-decker metal-arene systems." @default.
- W4381514034 created "2023-06-22" @default.
- W4381514034 creator A5007739056 @default.
- W4381514034 creator A5024875738 @default.
- W4381514034 creator A5030348054 @default.
- W4381514034 creator A5059422971 @default.
- W4381514034 creator A5062404483 @default.
- W4381514034 creator A5081921108 @default.
- W4381514034 date "2023-06-01" @default.
- W4381514034 modified "2023-09-25" @default.
- W4381514034 title "Spin-polarized electronic/transport properties of iron-benzene complex-adsorbed graphene sheets" @default.
- W4381514034 cites W1966280079 @default.
- W4381514034 cites W1970656494 @default.
- W4381514034 cites W1973237661 @default.
- W4381514034 cites W1977305555 @default.
- W4381514034 cites W1981368803 @default.
- W4381514034 cites W1982233616 @default.
- W4381514034 cites W1984010994 @default.
- W4381514034 cites W1985252301 @default.
- W4381514034 cites W1989034096 @default.
- W4381514034 cites W2001464151 @default.
- W4381514034 cites W2003709668 @default.
- W4381514034 cites W2020119112 @default.
- W4381514034 cites W2021280109 @default.
- W4381514034 cites W2025595901 @default.
- W4381514034 cites W2029808548 @default.
- W4381514034 cites W2060277673 @default.
- W4381514034 cites W2069636705 @default.
- W4381514034 cites W2084257722 @default.
- W4381514034 cites W2091532588 @default.
- W4381514034 cites W2133987216 @default.
- W4381514034 cites W2141704677 @default.
- W4381514034 cites W2282643746 @default.
- W4381514034 cites W2308933485 @default.
- W4381514034 cites W2341981396 @default.
- W4381514034 cites W2345368764 @default.
- W4381514034 cites W2512033464 @default.
- W4381514034 cites W2521217874 @default.
- W4381514034 cites W2531169734 @default.
- W4381514034 cites W2538990267 @default.
- W4381514034 cites W2539947794 @default.
- W4381514034 cites W2576091634 @default.
- W4381514034 cites W2597961511 @default.
- W4381514034 cites W2603085492 @default.
- W4381514034 cites W2605286501 @default.
- W4381514034 cites W2612288274 @default.
- W4381514034 cites W2617633074 @default.
- W4381514034 cites W2620552827 @default.
- W4381514034 cites W2758556746 @default.
- W4381514034 cites W2767680204 @default.
- W4381514034 cites W2775506181 @default.
- W4381514034 cites W2779692241 @default.
- W4381514034 cites W2790306808 @default.
- W4381514034 cites W2790497749 @default.
- W4381514034 cites W2806791285 @default.
- W4381514034 cites W2807408220 @default.
- W4381514034 cites W2808494003 @default.
- W4381514034 cites W2808511119 @default.
- W4381514034 cites W2890050427 @default.
- W4381514034 cites W2895588517 @default.
- W4381514034 cites W2903227171 @default.
- W4381514034 cites W2947805606 @default.
- W4381514034 cites W2960221215 @default.
- W4381514034 cites W2963274869 @default.
- W4381514034 cites W2983263729 @default.
- W4381514034 cites W2991123329 @default.
- W4381514034 cites W2991242583 @default.
- W4381514034 cites W3005247668 @default.
- W4381514034 cites W3010648047 @default.
- W4381514034 cites W3016456929 @default.
- W4381514034 cites W3037442560 @default.
- W4381514034 cites W3044139461 @default.
- W4381514034 cites W3092553835 @default.
- W4381514034 cites W3095709444 @default.
- W4381514034 cites W3099372212 @default.
- W4381514034 cites W3104794915 @default.
- W4381514034 cites W3106439301 @default.
- W4381514034 cites W3126815117 @default.
- W4381514034 cites W3131739122 @default.
- W4381514034 cites W3139428330 @default.
- W4381514034 cites W3156903203 @default.
- W4381514034 cites W3159434074 @default.
- W4381514034 cites W3181586928 @default.
- W4381514034 cites W3193586805 @default.
- W4381514034 cites W3194140995 @default.
- W4381514034 cites W357646790 @default.
- W4381514034 cites W4212920634 @default.
- W4381514034 cites W4229701008 @default.
- W4381514034 doi "https://doi.org/10.1016/j.matchemphys.2023.127996" @default.
- W4381514034 hasPublicationYear "2023" @default.
- W4381514034 type Work @default.
- W4381514034 citedByCount "0" @default.
- W4381514034 crossrefType "journal-article" @default.
- W4381514034 hasAuthorship W4381514034A5007739056 @default.
- W4381514034 hasAuthorship W4381514034A5024875738 @default.
- W4381514034 hasAuthorship W4381514034A5030348054 @default.
- W4381514034 hasAuthorship W4381514034A5059422971 @default.
- W4381514034 hasAuthorship W4381514034A5062404483 @default.