ChemInform Abstract: Two‐Dimensional Cu₂Si Monolayer with Planar Hexacoordinate Copper and Silicon Bonding.

Abstract

Two-Dimensional Cu 2Si Monolayer with Planar Hexacoordinate Copper and Silicon Bonding. -A new Cu 2Si two-dimensional monolayer featuring planar hexacoordinate copper and planar hexacoordinate silicon is predicted on the basis of DFT calculations and molecular dynamic simulations. The system is quite stable during short annealing simulations up to 900 K, and predicted to be a diamagnetic metal. -(YANG*, L.-M.; BACIC, V.; POPOV, I. A.; BOLDYREV, A. I.; HEINE, T.; FRAUENHEIM, T.; GANZ, E.; J. Am. Chem. Soc. 137 (2015) 7, 2757-2762, http://dx.

Half-Auxeticity and Anisotropic Transport in Pd Decorated Two-Dimensional Boron Sheets

“…S1a), which otherwise shows the typical behavior of a kinetically stable 2D material, with two linear and one parabolic acoustic branches. The highest frequencies of PdB4 reach up to 1214 cm -1 (36.4 THz), which is higher than the highest frequencies found in silicene (580 cm −1 ), 38 Cu2Si (420 cm −1 ) 39 , MoS2 monolayers (473 cm −1 ). 40 .…”

Planar hexacoordinate gallium

“…62 Apart from them, planar hexacoordination in an isolated cluster was not found. Note that the planar hexacoordinate motifs can be embedded in the two-dimensional (2D) nanosheet, [63][64][65] which can provide both electronic stabilization and electronicstabilization-induced steric force supports. 65 But that is a different story as compared to the isolated clusters, which basically only rely on the electronic stabilization strategy, making its design extremely challengeable.…”