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Magnetic Properties of Borophene Nanoribbons

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Magnetic Properties of Borophene Nanoribbons ( magnetic-properties-borophene-nanoribbons )

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Figure 7. (a) Top view and (b) side view along x axis of optimized geometric structure of 8-hBxNR, (c) top view and (d) side view along y axis of optimized geometric structure of 8-hByNR. Hydrogenation effects on the stability of hBxNRs and hByNRs. In order to examine the hydrogenation effects on the stability of hBxNRs and hByNRs, ABE is again employed to study the stability of the system while we employ binding energy (BE) to examine if the process BNRs + H2 = hBNRs is energetically favorable. ABE = (n×EB + m×EH – Etotal) / (n + m) (2) where Etotal is the total energy of the system, EB is the energy of a single boron atom, EH is the energy of a single hydrogen atom, and n and m are the total number of boron atom and hydrogen atom, respectively. BE=EBNR+EH2 –Etotal (3)

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