An modified laminar crystal sodium silicate (A1-SKS-6) was synthesized by spray drying and high temperature crystallization using sodium silicate as silicon source, A1 atom as inorganic source and hexadecyltrimethy ...An modified laminar crystal sodium silicate (A1-SKS-6) was synthesized by spray drying and high temperature crystallization using sodium silicate as silicon source, A1 atom as inorganic source and hexadecyltrimethy ammonium bromide (CTMAB) as the structure template. The hydrothermal stability of product was at least 1 h. The synthesized material was characterized by XRD and SEM. The results indicated that shape and intensity of XRD diffraction peak at 20 took changes, but raw material 8 phase crystal form kept unchanged, and assured high Ca^2+ and Mg^2+ binding capacity of the products. The Ca^2+ and Mg^2+ binding capacity of product is up to 380 mg Ca/g and 410mg Mg/g respectively. It was found that the hole of product became smaller and appeared rod structure based on SEM. The hydrothermal stability was increased due to the pillaring of AI atom.展开更多
Using density function theory (DFT), the Cu-doped Aln (n=1-15) clusters have been stud- ied. The electron affinity, ionization potential, Mulliken population analysis of Cu, mean polarizability, polarizability ani...Using density function theory (DFT), the Cu-doped Aln (n=1-15) clusters have been stud- ied. The electron affinity, ionization potential, Mulliken population analysis of Cu, mean polarizability, polarizability anisotropy, dipole moments and HOMO-LUMO gaps have also been calculated on the basis of optimized geometries. The results indicate that there is magic numbers in copper-doped aluminum clusters and electronic characteristic depended on the size of clusters. As n=13, the electron affinity and ionization potential of cluster changed more than 0.3 and 0.6 eV respectively, compared with neighborhood clusters.展开更多
文摘An modified laminar crystal sodium silicate (A1-SKS-6) was synthesized by spray drying and high temperature crystallization using sodium silicate as silicon source, A1 atom as inorganic source and hexadecyltrimethy ammonium bromide (CTMAB) as the structure template. The hydrothermal stability of product was at least 1 h. The synthesized material was characterized by XRD and SEM. The results indicated that shape and intensity of XRD diffraction peak at 20 took changes, but raw material 8 phase crystal form kept unchanged, and assured high Ca^2+ and Mg^2+ binding capacity of the products. The Ca^2+ and Mg^2+ binding capacity of product is up to 380 mg Ca/g and 410mg Mg/g respectively. It was found that the hole of product became smaller and appeared rod structure based on SEM. The hydrothermal stability was increased due to the pillaring of AI atom.
基金The work was supported by the National Natural Science Foundation of China (No.10374036 and No. 10374037) and the Chinese Academic of Engineering Physics (No.51480030105JW1301).
文摘Using density function theory (DFT), the Cu-doped Aln (n=1-15) clusters have been stud- ied. The electron affinity, ionization potential, Mulliken population analysis of Cu, mean polarizability, polarizability anisotropy, dipole moments and HOMO-LUMO gaps have also been calculated on the basis of optimized geometries. The results indicate that there is magic numbers in copper-doped aluminum clusters and electronic characteristic depended on the size of clusters. As n=13, the electron affinity and ionization potential of cluster changed more than 0.3 and 0.6 eV respectively, compared with neighborhood clusters.