Many researchers found that the Fe2+together with less amount of Cu2+can accelerate the leaching of chalcopyrite.In this work,the leaching of chalcopyrite with Cu2+was investigated.The leaching residuals were examined...Many researchers found that the Fe2+together with less amount of Cu2+can accelerate the leaching of chalcopyrite.In this work,the leaching of chalcopyrite with Cu2+was investigated.The leaching residuals were examined by Raman spectroscopy.Based on the leaching experiments,the chemical equilibrium in solution was calculated using Visual MINTEQ.The results showed that the Fe in chalcopyrite lattice was replaced by Cu2+;therefore,the chalcopyrite transformed into covellite.Furthermore,the formation of chalcocite occurred when Fe2+and Fe3+were added to the solution containing Cu2+.The copper extraction increased with a decrease of the initial redox potential(or the ratio of Fe3+/Fe2+).展开更多
The electronic properties of sphalerite(110)surface bearing Fe,Mn and Cd impurities were calculated using density-functional theory,and the effects of impurities on the copper activation of sphalerite were investigate...The electronic properties of sphalerite(110)surface bearing Fe,Mn and Cd impurities were calculated using density-functional theory,and the effects of impurities on the copper activation of sphalerite were investigated.Calculated results indicate that both Fe and Mn impurities narrow the band gap of sphalerite surface and lead to the Fermi level shifting to conduction band.Impurity levels composed of Fe 3d and Mn 3d orbital appearing in band gap are beneficial to electrons transfer from the valence band to the conduction band and promote the surface conductivity and the electrochemical activity.The results show that Fe and Mn impurities cannot be replaced by Cu atom,which reduces the exchange sites(Zn)for Cu atom,hence Fe-and Mn-bearing sphalerites are hard to be activated by copper.Cd impurity has little effect on electronic structure of sphalerite surface;however,Cd atom is easily replaced by Cu atom,and this is the reason why the Cd-bearing sphalerite can be easily floated.展开更多
The structural,electronic properties and formation energies of sulfur and alkaline earth codoped delafossite CuAlO_2 have been investigated using the first-principles density functional theory calculations.Our results...The structural,electronic properties and formation energies of sulfur and alkaline earth codoped delafossite CuAlO_2 have been investigated using the first-principles density functional theory calculations.Our results reveal that the volume of codoping systems increases with the increasing atomic radius of metal atoms.The formation energies under different growth conditions have been calculated,showing that the codoping systems are formed easily under O-rich growth conditions.Electronic band structures and density of states have been obtained.The decreased bandgaps,enhanced covalence and appearance of electron acceptors after codoping are all good for p-type conductivity.展开更多
基金Project(2016RS2016)supported by the Hunan Provincial Science and Technology Leader(Innovation Team of Interface Chemistry of Efficient and Clean Utilization of Complex Mineral Resources),ChinaProject supported by the Co-Innovation Centre for Clean and Efficient Utilization of Strategic Metal Mineral Resources,ChinaProject(2015CX005)supported by the Innovation Driven Plan of Central South University,China
文摘Many researchers found that the Fe2+together with less amount of Cu2+can accelerate the leaching of chalcopyrite.In this work,the leaching of chalcopyrite with Cu2+was investigated.The leaching residuals were examined by Raman spectroscopy.Based on the leaching experiments,the chemical equilibrium in solution was calculated using Visual MINTEQ.The results showed that the Fe in chalcopyrite lattice was replaced by Cu2+;therefore,the chalcopyrite transformed into covellite.Furthermore,the formation of chalcocite occurred when Fe2+and Fe3+were added to the solution containing Cu2+.The copper extraction increased with a decrease of the initial redox potential(or the ratio of Fe3+/Fe2+).
基金Project(50864001) supported by the National Natural Science Foundation of China
文摘The electronic properties of sphalerite(110)surface bearing Fe,Mn and Cd impurities were calculated using density-functional theory,and the effects of impurities on the copper activation of sphalerite were investigated.Calculated results indicate that both Fe and Mn impurities narrow the band gap of sphalerite surface and lead to the Fermi level shifting to conduction band.Impurity levels composed of Fe 3d and Mn 3d orbital appearing in band gap are beneficial to electrons transfer from the valence band to the conduction band and promote the surface conductivity and the electrochemical activity.The results show that Fe and Mn impurities cannot be replaced by Cu atom,which reduces the exchange sites(Zn)for Cu atom,hence Fe-and Mn-bearing sphalerites are hard to be activated by copper.Cd impurity has little effect on electronic structure of sphalerite surface;however,Cd atom is easily replaced by Cu atom,and this is the reason why the Cd-bearing sphalerite can be easily floated.
基金Supported by the National Natural Science Foundation of China under Grant Nos.11347199,51402244,and 11547311the Specialized Research Fund for Doctoral Program of Higher Education of China under Grant No.20130184120028+2 种基金the Fundamental Research Fund for the Central UniversitiesChina under Grant Nos.2682014CX084,2682014ZT30,and 2682014ZT31the fund of the State Key Laboratory of Solidification Processing in NWPU under Grant No.SKLSP201511
文摘The structural,electronic properties and formation energies of sulfur and alkaline earth codoped delafossite CuAlO_2 have been investigated using the first-principles density functional theory calculations.Our results reveal that the volume of codoping systems increases with the increasing atomic radius of metal atoms.The formation energies under different growth conditions have been calculated,showing that the codoping systems are formed easily under O-rich growth conditions.Electronic band structures and density of states have been obtained.The decreased bandgaps,enhanced covalence and appearance of electron acceptors after codoping are all good for p-type conductivity.
