Prof.Liu Jinhuai’s group at Hefei Institute of Intelligent Machines,Chinese Academy of Sciences,reported the effect of nanocrystal facets on the electrochemical sensing of metal ions at the atomic level,which was published in Chem Commun（2014,50:5011—3）.Three types ofα-Fe2O3 nanostructures,including nanocubes,nanoplates,and nanorods with crystal-
We present a first-principles study on the geometric, vibrational and electronic properties of a novel Y-based non-scandium mixed-metal nitride clusterfullerene （TiY2N@C80）. Theoretical results indicate that the fundamental electronic properties of TiY2N@C80 are similar to that of TiSc2N@C80, but dramatically different from that of ScaN@C800 and YaN@C80 molecules. We find that the magnetism of TiY2N@C80 is quenched by carrier doping. The rotation energy barrier of the TiY2N cluster in C80 cage was obviously increased by exohedral chemical modification with pyrrolidine monoadduct.
