Porphyrinic Silver Cluster Assembled Material for Simultaneous Capture and Photocatalysis of Mustard-Gas Simulant.

Silver cluster-assembled materials (SCAMs), by virtue of their tunable structure, accessible surface area and excellent stability, hold great promise as highly efficient catalysts. Herein, we report a new SCAM [Ag(SBu)(CFCOO)(TPyP)] (denoted as AgTPyP) composed of a Ag chalcogenolate cluster core stabilized by porphyrinic ligands. AgTPyP showed superior sulfur mustard simulant (2-chloroethyl ethyl sulfide, CEES) degradation efficiency and achieved a half lifetime () of 1.

A potential material for hydrogen storage: a Li decorated graphitic-CN monolayer.

Motivated by recent experimental developments of graphitic-CN (g-CN) sheets, we investigate the suitability of hydrogen storage on Li decorated g-CN via first-principles calculations. We find that the binding energies of Li atoms are very large, ranging from 2.70 to 4.

Modulation of electronic and magnetic properties of edge hydrogenated armchair phosphorene nanoribbons by transition metal adsorption.

Based on first-principles calculations, we present a systematic investigation of the electronic and magnetic properties of armchair phosphorene nanoribbons (APNRs) functionalized by 3d transition metal (TM) atoms. We found that the central hollow site is the most favorable adsorption site for Mn, Co and Ni, while Fe preferentially occupies the edge hollow site. All of the TM atoms bind to the adjacent P and their adsorption energies are in the range of -4.