Charge doping zirconium nitride halide monolayers

DFT Insights into Layer-Dependent Superhigh Piezoelectricity and Carrier Mobility in 2D Hexagonal SnNBr

“…19 Also, upon realizing the significance of the metal nitride halide structures, the electrochemical doping and, very recently, charge doping on zirconium nitride halide have been studied by the firstprinciples method. 20,21 As far as the experimental feasibility is concerned, transition metal nitride halides (MNX, M = Ti, Zr, and Hf; X = Cl, Br, and I) have already been fabricated successfully. 22 Furthermore, a large number of experimental investigations have been devoted to study superconductivity in the already synthesized metal nitride halide, like ZrNCl, β-HfNCl, and other MNX systems.…”

“…Similarly, TiNX (X = F, Cl, and Br) has been proposed through the halogenation of the TiN monolayer . Also, upon realizing the significance of the metal nitride halide structures, the electrochemical doping and, very recently, charge doping on zirconium nitride halide have been studied by the first-principles method. , As far as the experimental feasibility is concerned, transition metal nitride halides (MNX, M = Ti, Zr, and Hf; X = Cl, Br, and I) have already been fabricated successfully . Furthermore, a large number of experimental investigations have been devoted to study superconductivity in the already synthesized metal nitride halide, like ZrNCl, β-HfNCl, and other MNX systems. − In view of the diversity in the occurrence of the nitride halides, various synthesis methods have been developed over the century, e.g., ammonolysis technique, gas–solid reaction, annealing of the elemental compound with NH 4 X (X = Cl and Br), , high-pressure synthesis, , bottom-up CVD approaches, etc., to name a few.…”