The mesoporous molecular sieve (MCM)-41 using ionic liquid as template has been prepared. The typical template of ionic liquid was [C16mim]X. In this article, the use of 1-alkyl-3-methylimidazolium ([Cnmim]Br, where n...The mesoporous molecular sieve (MCM)-41 using ionic liquid as template has been prepared. The typical template of ionic liquid was [C16mim]X. In this article, the use of 1-alkyl-3-methylimidazolium ([Cnmim]Br, where n=12,14,16,18,20) salts as templates in the synthesis of MCM-41 is reported. The results showed that the synthesized MCM-41 had uniform pore diameter, high surface area and stable framework. The largest surface area of MCM-41 was the one prepared with [C14mim]Br as template. When using [C18min]Br as template, the narrowest pore distribution sample was obtained and the effect of surface tension of template solution to MCM-41 was first discussed.展开更多
Inorganic solid electrolytes have distinguished advantages in terms of safety and stability, and are promising to substitute for conventional organic liquid electrolytes. However, low ionic conductivity of typical can...Inorganic solid electrolytes have distinguished advantages in terms of safety and stability, and are promising to substitute for conventional organic liquid electrolytes. However, low ionic conductivity of typical candidates is the key problem. As connective diffusion path is the prerequisite for high performance, we screen for possible solid electrolytes from the 2004 International Centre for Diffraction Data （ICDD） database by calculating conduction pathways using Bond Valence （BV） method. There are 109846 inorganic crystals in the 2004 ICDD database, and 5295 of them contain lithium. Except for those with toxic, radioactive, rare, or variable valence elements, 1380 materials are candidates for solid electrolytes. The rationality of the BV method is approved by comparing the existing solid electrolytes＇ conduction pathways we had calculated with those from ex- periments or first principle calculations. The implication for doping and substitution, two important ways to improve the conductivity, is also discussed. Among them LizCO3 is selected for a detailed comparison, and the pathway is reproduced well with that based on the density functional studies. To reveal the correlation between connectivity of pathways and conductivity, a/γ-LiAlO2 and Li2CO3 are investigated by the impedance spectrum as an example, and many experimental and theoretical studies are in process to indicate the relationship between property and structure. The BV method can calculate one material within a few minutes, providing an efficient way to lock onto targets from abundant data, and to investigate the struc- ture-property relationship systematically.展开更多
基金Supported by the Natural Science Foundation of Zhengzhou Province （064SJZJ23115） and the Key Laboratory of Catalysis and Materials Science of South-Central University for Nationalities Foundation.
文摘The mesoporous molecular sieve (MCM)-41 using ionic liquid as template has been prepared. The typical template of ionic liquid was [C16mim]X. In this article, the use of 1-alkyl-3-methylimidazolium ([Cnmim]Br, where n=12,14,16,18,20) salts as templates in the synthesis of MCM-41 is reported. The results showed that the synthesized MCM-41 had uniform pore diameter, high surface area and stable framework. The largest surface area of MCM-41 was the one prepared with [C14mim]Br as template. When using [C18min]Br as template, the narrowest pore distribution sample was obtained and the effect of surface tension of template solution to MCM-41 was first discussed.
基金supported by the National Natural Science Foundation of China (Grant Nos. 11234013 and 51172274)the "Strategic Priority Research Program" of the Chinese Academy of Sciences (Grant No. XDA01010202)+1 种基金the National Basic Research Program of China (Grant No. 2012CB932900)the Project of Beijing Municipal Science & Technology Commission
文摘Inorganic solid electrolytes have distinguished advantages in terms of safety and stability, and are promising to substitute for conventional organic liquid electrolytes. However, low ionic conductivity of typical candidates is the key problem. As connective diffusion path is the prerequisite for high performance, we screen for possible solid electrolytes from the 2004 International Centre for Diffraction Data （ICDD） database by calculating conduction pathways using Bond Valence （BV） method. There are 109846 inorganic crystals in the 2004 ICDD database, and 5295 of them contain lithium. Except for those with toxic, radioactive, rare, or variable valence elements, 1380 materials are candidates for solid electrolytes. The rationality of the BV method is approved by comparing the existing solid electrolytes＇ conduction pathways we had calculated with those from ex- periments or first principle calculations. The implication for doping and substitution, two important ways to improve the conductivity, is also discussed. Among them LizCO3 is selected for a detailed comparison, and the pathway is reproduced well with that based on the density functional studies. To reveal the correlation between connectivity of pathways and conductivity, a/γ-LiAlO2 and Li2CO3 are investigated by the impedance spectrum as an example, and many experimental and theoretical studies are in process to indicate the relationship between property and structure. The BV method can calculate one material within a few minutes, providing an efficient way to lock onto targets from abundant data, and to investigate the struc- ture-property relationship systematically.
