The effects of different crystal structures of copper chloride hydroxide on the catalytic synthesis of diethyl carbonate by the oxidative carbonylation of ethanol was discussed. The catalytic activity was improved sig...The effects of different crystal structures of copper chloride hydroxide on the catalytic synthesis of diethyl carbonate by the oxidative carbonylation of ethanol was discussed. The catalytic activity was improved significantly and the active component of γ-Cu2（OH）3Cl was partially converted into Cu（OH）Cl when KCl was added in the catalyst. CO-TPD analysis of the catalyst showed that the adsorption of CO increased and the desorption temperature shifted to the right. Morphological analysis by SEM of the catalyst showed that the active component of the catalyst was highly dispersed on the carrier promoting the catalytic activity of the catalyst in the synthesis of DEC. Reaction mechanism analysis showed that the fact that Cu（OH）Cl was more active than γ-Cu2（OH）3Cl in the oxidative carbonylation of ethanol to DEC was attributed to the John-Teller effect.展开更多
Comparative analysis of electronic, magnetic, optical, and thermoelectric properties of CdFe2O4, calculated by em- ploying PBEsol ＋ mBJ has been done. The PBEsol reveals metallic nature, while TB-mBJ illustrates ferr...Comparative analysis of electronic, magnetic, optical, and thermoelectric properties of CdFe2O4, calculated by em- ploying PBEsol ＋ mBJ has been done. The PBEsol reveals metallic nature, while TB-mBJ illustrates ferromagnetic semiconducting behavior. The reasons behind the origin of ferromagnetism are explored by observing the exchange, crystal field, and John-Teller energies. The optical nature is investigated by analyzing dielectric constants, refraction, absorption coefficient, reflectivity, and optical conductivity. Finally, thermoelectric properties are elaborated by describing the electri- cal and thermal conductivities, Seebeck coefficient, and power factor. The strong absorption for the visible energy and high power factor suggest CdFe2O4 as the potential candidate for renewable energy applications.展开更多
文摘The effects of different crystal structures of copper chloride hydroxide on the catalytic synthesis of diethyl carbonate by the oxidative carbonylation of ethanol was discussed. The catalytic activity was improved significantly and the active component of γ-Cu2（OH）3Cl was partially converted into Cu（OH）Cl when KCl was added in the catalyst. CO-TPD analysis of the catalyst showed that the adsorption of CO increased and the desorption temperature shifted to the right. Morphological analysis by SEM of the catalyst showed that the active component of the catalyst was highly dispersed on the carrier promoting the catalytic activity of the catalyst in the synthesis of DEC. Reaction mechanism analysis showed that the fact that Cu（OH）Cl was more active than γ-Cu2（OH）3Cl in the oxidative carbonylation of ethanol to DEC was attributed to the John-Teller effect.
基金the Deanship of Scientific Research at King Saud University for the research group project(Grant No.RGP311)UGC for financial support (Dr.D.S.Kothari Postdoctoral Fellowship,Grant No.PH/13–14/0113)Higher Education Commission (HEC),Pakistan for financial support (Grant No.6410/Punjab/NRPU/R&D/HEC/2016)
文摘Comparative analysis of electronic, magnetic, optical, and thermoelectric properties of CdFe2O4, calculated by em- ploying PBEsol ＋ mBJ has been done. The PBEsol reveals metallic nature, while TB-mBJ illustrates ferromagnetic semiconducting behavior. The reasons behind the origin of ferromagnetism are explored by observing the exchange, crystal field, and John-Teller energies. The optical nature is investigated by analyzing dielectric constants, refraction, absorption coefficient, reflectivity, and optical conductivity. Finally, thermoelectric properties are elaborated by describing the electri- cal and thermal conductivities, Seebeck coefficient, and power factor. The strong absorption for the visible energy and high power factor suggest CdFe2O4 as the potential candidate for renewable energy applications.
