Novel Electronic and Magnetic Properties of Two-Dimensional Transition Metal Carbides and Nitrides

• Published in: Advanced functional materials Vol. 23; no. 17; pp. 2185 - 2192
• Main Authors: Khazaei, Mohammad, Arai, Masao, Sasaki, Taizo, Chung, Chan-Yeup, Venkataramanan, Natarajan S., Estili, Mehdi, Sakka, Yoshio, Kawazoe, Yoshiyuki
• Format: Journal Article
• Language: English
• Published: Weinheim WILEY-VCH Verlag 06.05.2013; WILEY‐VCH Verlag
• Subjects: Chromium; Mathematical analysis; MAX phases; MXene; Nanostructure; Nitrides; Semiconductors; Thermoelectricity; Titanium; transition metal carbides; transition metal nitrides; Two dimensional

Layered MAX phases are exfoliated into 2D single layers and multilayers, so‐called MXenes. Using first‐principles calculations, the formation and electronic properties of various MXene systems, M2C (M = Sc, Ti, V, Cr, Zr, Nb, Ta) and M2N (M = Ti, Cr, Zr) with surfaces chemically functionalized by F,...