对比 Fe Pc研究了标题配合物 Fe Pz(dtn) 4和 Fe Pz(dcdtn) 4的电子结构及吸收光谱 .发现 Fe Pc大环外围硫原子及氯原子取代均导致吸收光谱的 B带与 Q带能差减小 .UHF- ZINDO/1全优化计算证明 :标题配合物和 Fe Pc分子的基态均为自旋三...对比 Fe Pc研究了标题配合物 Fe Pz(dtn) 4和 Fe Pz(dcdtn) 4的电子结构及吸收光谱 .发现 Fe Pc大环外围硫原子及氯原子取代均导致吸收光谱的 B带与 Q带能差减小 .UHF- ZINDO/1全优化计算证明 :标题配合物和 Fe Pc分子的基态均为自旋三重态 ,且三者基态与最低能量自旋单态的能差相近 ,基态结合能的绝对值按 Fe Pc>Fe Pz(dtn) 4>Fe Pz(dcdtn) 4顺序依次减小 ,铁原子的净电荷按 Fe Pc<Fe Pz(dtn) 4<Fe Pz(dcdtn) 4顺序依次增多 .多组态 CI研究表明 ,三者的吸收带在本质上属于 Pz大环的π→π*跃迁 ,且伴随有弱的 d- d跃迁 .展开更多
LiNi1-xCoxO2 cathode materials for lithium ion batteries were synthesized by the co-precipitation and solid-state reaction methods with LiOH·H2O, Ni(NO3)2·6H2O and Co(NO3)2·6H2O as raw materials. The ma...LiNi1-xCoxO2 cathode materials for lithium ion batteries were synthesized by the co-precipitation and solid-state reaction methods with LiOH·H2O, Ni(NO3)2·6H2O and Co(NO3)2·6H2O as raw materials. The materials were characterized by XRD, SEM and electrochemical tests. The results showed that synthesized cathode materials were with layered structure similar to α-NaFeO2 and uniform morphology and nearly normal grain size distribution and better electrochemical performance when x was 0.18. The first charge and discharge capacity of the cathode material was 224.3 mAh·g-1 and 194.2 mAh·g-1, respectively. 88.5% of the first discharge capacity remained at the 20th cycle.展开更多
The microcrystalline structure of complex CuLL′(L=mnt2-,1,2-dicyano-1,2-ethylenedithiolate or maleonitriledithiolate.L′=5-NO2-phen,5-nitri-1,10-phenanthro line) was characterized by TEM and EDP.The title complex was...The microcrystalline structure of complex CuLL′(L=mnt2-,1,2-dicyano-1,2-ethylenedithiolate or maleonitriledithiolate.L′=5-NO2-phen,5-nitri-1,10-phenanthro line) was characterized by TEM and EDP.The title complex was microcrystalline particle approximate oval sphere about 30nm.The electronic absorption spectra and emission spectra of complex CuLL′in DMSO,DMF and CH3COCH3 were determined.The complex CuLL′exhibit strong absorption spectra bands and emission spectra bands at 260～530nm in solution.The dark conductivity and photoconductivity of CdS doped with CuLL′ were studied.The correlation between photosensitization of complex CuLL′to CdS and its electronic spectra was ascertained.The obvious matched properties was found to exist between the interligand charge transfer energy of complex CuLL′and forbidden band width(or photoconductive red limit) of CdS.展开更多
文摘LiNi1-xCoxO2 cathode materials for lithium ion batteries were synthesized by the co-precipitation and solid-state reaction methods with LiOH·H2O, Ni(NO3)2·6H2O and Co(NO3)2·6H2O as raw materials. The materials were characterized by XRD, SEM and electrochemical tests. The results showed that synthesized cathode materials were with layered structure similar to α-NaFeO2 and uniform morphology and nearly normal grain size distribution and better electrochemical performance when x was 0.18. The first charge and discharge capacity of the cathode material was 224.3 mAh·g-1 and 194.2 mAh·g-1, respectively. 88.5% of the first discharge capacity remained at the 20th cycle.
文摘The microcrystalline structure of complex CuLL′(L=mnt2-,1,2-dicyano-1,2-ethylenedithiolate or maleonitriledithiolate.L′=5-NO2-phen,5-nitri-1,10-phenanthro line) was characterized by TEM and EDP.The title complex was microcrystalline particle approximate oval sphere about 30nm.The electronic absorption spectra and emission spectra of complex CuLL′in DMSO,DMF and CH3COCH3 were determined.The complex CuLL′exhibit strong absorption spectra bands and emission spectra bands at 260～530nm in solution.The dark conductivity and photoconductivity of CdS doped with CuLL′ were studied.The correlation between photosensitization of complex CuLL′to CdS and its electronic spectra was ascertained.The obvious matched properties was found to exist between the interligand charge transfer energy of complex CuLL′and forbidden band width(or photoconductive red limit) of CdS.
