Enhanced paramagnetism of mesoscopic graphdiyne by doping with nitrogen
نویسندگان
چکیده
منابع مشابه
Surface superconducting states and paramagnetism in mesoscopic superconductors
In the framework of the Ginzburg-Landau equation, the temperature dependence of the upper critical field of small ring-like superconductors is studied. At equilibrium small parts of the phase diagram show paramagnetism for width / radius ratios below 0.85. Their number and extension increase with the size of the hole. In these regions, only the inner part of the ring shows a positive magnetic m...
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Dispersive force corrected density functional theory is used to map the oxygen reduction reaction (ORR) kinetics of six kinds of graphyne (Gy) and graphdiyne (Gdy) systems (namely αGy, βGy, γGy, δGy, 6,6,12Gy, RGy and Gdy) with substitutional boron (B) atom doping. To this end, the most favorable sites for B doping of each structures are determined by comparing their formation energies and then...
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ژورنال
عنوان ژورنال: Scientific Reports
سال: 2017
ISSN: 2045-2322
DOI: 10.1038/s41598-017-11698-9