A set of thermodynamic descriptions of the temary compounds （mainly α-CulnSe2, δ-CulnSe2, Culn3Se5 and CulnsSe8） in the Cu-In-Se system was established by adopting sub-lattice model. The model parameters are caref...A set of thermodynamic descriptions of the temary compounds （mainly α-CulnSe2, δ-CulnSe2, Culn3Se5 and CulnsSe8） in the Cu-In-Se system was established by adopting sub-lattice model. The model parameters are carefully evaluated by integrating the experimental data of thermodynamic properties, phase equilibrium and theoretical calculation of formation energies of different point defects. The evaluated Gibbs energies of the compounds reasonably agree with that estimated from EMF experiment and ab initio calculation. The calculated phase relationships in the Cu-In-Se system are in accord with the experimental phase diagrams. The obtained standard enthalpy of formation of CulnSe2 is close to that reported in the literatures.展开更多
Discussed latest research results of basic theory research of coal spontaneous combustion in detail,with quantum chemical theory and method and experiment syste- matically studied chemical structure of coal molecule,a...Discussed latest research results of basic theory research of coal spontaneous combustion in detail,with quantum chemical theory and method and experiment syste- matically studied chemical structure of coal molecule,adsorption mechanism of coal sur- face to oxygen molecule and chemical reaction mechanism and process of spontaneous combustion of organic macromolecule and low molecular weight compound in coal from microcosmic view,and established complete theoretical system of the mechanism of coal spontaneous combustion.展开更多
CO2 is not only the most important greenhouse gas but also an important resource of elemental carbon and oxygen.From the perspective of resource and energy strategy,the conversion of CO2 to chemicals driven by renewab...CO2 is not only the most important greenhouse gas but also an important resource of elemental carbon and oxygen.From the perspective of resource and energy strategy,the conversion of CO2 to chemicals driven by renewable energy is of significance,since it can not only reduce carbon emission by the utilization of CO2 as feedstock but also store low-grade renewable energy as high energy density chemical energy.Although studies on photoelectrocatalytic reduction of CO2 using renewable energy are increasing,artificial bioconversion of CO2 as an important novel pathway to synthesize chemicals has attracted more and more attention.By simulating the natural photosynthesis process of plants and microorganisms,the artificial bioconversion of CO2 can efficiently synthesize chemicals via a designed and constructed artificial photosynthesis system.This review focuses on the recent advancements in artificial bioreduction of CO2,including the key techniques,and artificial biosynthesis of compounds with different carbon numbers.On the basis of the aforementioned discussions,we present the prospects for further development of artificial bioconversion of CO2 to chemicals.展开更多
文摘A set of thermodynamic descriptions of the temary compounds （mainly α-CulnSe2, δ-CulnSe2, Culn3Se5 and CulnsSe8） in the Cu-In-Se system was established by adopting sub-lattice model. The model parameters are carefully evaluated by integrating the experimental data of thermodynamic properties, phase equilibrium and theoretical calculation of formation energies of different point defects. The evaluated Gibbs energies of the compounds reasonably agree with that estimated from EMF experiment and ab initio calculation. The calculated phase relationships in the Cu-In-Se system are in accord with the experimental phase diagrams. The obtained standard enthalpy of formation of CulnSe2 is close to that reported in the literatures.
基金National Natural Science Foundation(50474010)Eleventh Five Year Key Technologies(2006BAK03B05)
文摘Discussed latest research results of basic theory research of coal spontaneous combustion in detail,with quantum chemical theory and method and experiment syste- matically studied chemical structure of coal molecule,adsorption mechanism of coal sur- face to oxygen molecule and chemical reaction mechanism and process of spontaneous combustion of organic macromolecule and low molecular weight compound in coal from microcosmic view,and established complete theoretical system of the mechanism of coal spontaneous combustion.
基金supported by the National Natural Science Foundation of China (91745114, 21802160)the National Key R&D Program of China (2016YFA0202800)+2 种基金Shanghai Sailing Program (18YF1425700)Shanghai Advanced Research Institute Innovation Research Program (Y756812ZZ1(172002),Y756803ZZ1(171003))the support from the Hundred Talents Program of the Chinese Academy of Sciences~~
文摘CO2 is not only the most important greenhouse gas but also an important resource of elemental carbon and oxygen.From the perspective of resource and energy strategy,the conversion of CO2 to chemicals driven by renewable energy is of significance,since it can not only reduce carbon emission by the utilization of CO2 as feedstock but also store low-grade renewable energy as high energy density chemical energy.Although studies on photoelectrocatalytic reduction of CO2 using renewable energy are increasing,artificial bioconversion of CO2 as an important novel pathway to synthesize chemicals has attracted more and more attention.By simulating the natural photosynthesis process of plants and microorganisms,the artificial bioconversion of CO2 can efficiently synthesize chemicals via a designed and constructed artificial photosynthesis system.This review focuses on the recent advancements in artificial bioreduction of CO2,including the key techniques,and artificial biosynthesis of compounds with different carbon numbers.On the basis of the aforementioned discussions,we present the prospects for further development of artificial bioconversion of CO2 to chemicals.
