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Mohammad Khazaei, Masao Arai, Taizo Sasaki, Chan-Yeup Chung, Natarajan S. Venkataramanan, Mehdi Estili, Yoshio Sakka and Yoshiyuki Kawazoe Novel Electronic and Magnetic Properties of Two-Dimensional Transition Metal Carbides and Nitrides Advanced Functional Materials 23

Version of Record online: 4 DEC 2012 | DOI: 10.1002/adfm.201202502

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2D, single-layer nanostructures of transition metal carbides and nitrides, so-called MXene, here M2C (M = Sc, Ti, V, Cr, Zr, Nb, Ta) and M2N (M = Ti, Cr, Zr), which are chemically functionalized by F, OH, and O groups, are shown to have potential applications in optoelectronic, spintronic, and thermoelectric nanodevices based on first-principles calculations.

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