Janus materials possess some unique properties that are different from the symmetrical structure, which provides them with a broad application prospect. In this work, we investigated the photocatalytic and piezoelectric...
A 1,3,5-tris(4-bromophenyl)benzene precursor was employed to fabricate large-scale, one-type pore and single-layer pCOFs on the Ag(111) surface in a controllable manner.
2D covalent organic framework-1 (COF-1) membrane is a potential hydrogen storage material. The hydrogen storage capacity of Li-decorated COF-1 has been studied by first-principles calculation. The results show its hydrogen storage capacity has been improved significantly by Li decoration, which is 7.69 wt%. Then ab initio molecular dynamics simulations at 300 K have been carried out and the results show that 12 H 2 molecules are stably absorbed on the double sides of COF-1 unit cell decorated by 6 Li atoms and the hydrogen storage capacity is 5.26 wt%.
Using first-principle calculations, we predict a new family of stable two-dimensional (2D) topological insulators (TI), monolayer Be 3 X 2 (X = C, Si, Ge, Sn) with honeycomb Kagome lattice. Based on the configuration of Be 3 C 2 , which has been reported to be a 2D Dirac material, we construct the other three 2D materials and confirm their stability according to their chemical bonding properties and phonon-dispersion relationships. Because of their tiny spin-orbit coupling (SOC) gaps, Be 3 C 2 and Be 3 Si 2 are 2D Dirac materials with high Fermi velocity at the same order of magnitude as that of graphene. For Be 3 Ge 2 and Be 3 Sn 2 , the SOC gaps are 1.5 meV and 11.7 meV, and their topological nontrivial properties are also confirmed by their semi-infinite Dirac edge states. Our findings not only extend the family of 2D Dirac materials, but also open an avenue to track new 2DTI.
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