Various incorporation of Au in pyrite and its effects on the geometrical structure,electronic structure and flotability of pyrite were theoretically investigated and fully discussed by performing density functional th...Various incorporation of Au in pyrite and its effects on the geometrical structure,electronic structure and flotability of pyrite were theoretically investigated and fully discussed by performing density functional theory(DFT).The calculated incorporation energy shows that gold would most likely exist in pyrite via incorporating into interstitial lattice sites in the absence of As impurity.As a result of incorporated Au,the covalence levels of the S—Fe and S—S bonds are changed,and the tonicity of Au—S bonds and antibonding of Au—Fe bonds are found to form in the pyrite,which would change the natural flotability of pyrite.The Au impurity energy levels are introduced into the energy band and result in the transformation of pyrite semiconductivity type.The calculated band-gap value suggests that the incorporated Au significantly decreases pyrite semiconductivity level,which enhances the formation and the adsorption stability of dixanthogen during pyrite flotation.The DOS results reveal that the stability and depression difficulty level of pyrites increases in the following order:Fe_(32)S_(63)As<Fe_(32)S_(64)<Fe_(32)S_(63)As Au<Fe_(32)S_(64)Au.展开更多
Discovering highly stable metal fullerenes such as the celebrated C 60 is interesting in cluster science as they have potential applications as building blocks in new nanostructures.We here investigated the structural...Discovering highly stable metal fullerenes such as the celebrated C 60 is interesting in cluster science as they have potential applications as building blocks in new nanostructures.We here investigated the structural and electronic properties of the fullerenes M 12 @Au 20（M=Na,Al,Ag,Sc,Y,La,Lu,and Au）,using a first-principles investigation with the density functional theory.It is found that these compound clusters possess a similar cage structure to the icosahedral Au 32 fullerene.La 12 @Au 20 is found to be particularly stable among these clusters.The binding energy of La 12 @Au 20 is 3.43 eV per atom,1.05 eV larger than that in Au 32.The highest occupied molecular orbital-lowest unoccupied molecular orbital（HOMO-LUMO） gap of La 12 @Au 20 is only 0.31 eV,suggesting that it should be relatively chemically reactive.展开更多
27 January 2014San Francisco,CA,USA-The International Council of Ophthalmology(ICO)Board of Trustees is pleased to announce the selection of Richard L.Abbott,MD,as the 2014 International Duke Elder medalist.The Duke E...27 January 2014San Francisco,CA,USA-The International Council of Ophthalmology(ICO)Board of Trustees is pleased to announce the selection of Richard L.Abbott,MD,as the 2014 International Duke Elder medalist.The Duke Elder Medal is awarded every four years to an ophthalmologist who,by his/her distinction,leadership,and teaching,has contributed most to the development of international relations and friendship between ophthalmologists,and who has advanced the field by his/her contributions in writing and organization in ophthalmology.展开更多
Juggling People on the Springboard by Shenzhen Fuyong Acrobatic Troupe won the gold medal on the 5th National Youth Acrobatic Contest. As a young private-owned acrobatic troupe founded in 2001, it is the second time f...Juggling People on the Springboard by Shenzhen Fuyong Acrobatic Troupe won the gold medal on the 5th National Youth Acrobatic Contest. As a young private-owned acrobatic troupe founded in 2001, it is the second time for it to win the gold medal on the National Youth Acrobatic Contest. However, it is展开更多
This paper mainly by using the method of literature, mathematical statistics, the Beijing Olympic gold medal to our country distribution of statistical analysis, aiming at improving the Chinese competitive sports scor...This paper mainly by using the method of literature, mathematical statistics, the Beijing Olympic gold medal to our country distribution of statistical analysis, aiming at improving the Chinese competitive sports scores, strengthening our country provides the reference for the development of the Olympic Games and countermeasures, make our country to create more outstanding achievemenL and soon become physical power.展开更多
An isotopic study was systemically carried out on the granitic complex,diorite-porphyrite, ores and ore minerals of the 103 Ma Xiaoxinancha gold-rich copper deposit in Jilin province to determine the geodynamic model ...An isotopic study was systemically carried out on the granitic complex,diorite-porphyrite, ores and ore minerals of the 103 Ma Xiaoxinancha gold-rich copper deposit in Jilin province to determine the geodynamic model of diagenesis and metallogenesis.Results show that the initial Nd and Sr isotopic compositions of the granitic complex are in the range of 0.70425-0.70505 for（87Sr/86Sr）i, 0.51243-0.51264 for INd,and -1.31 to ＋2.64 forεNd（t）;those of the diorite-porphyrite are in the range from 0.70438-0.70448 for（87Sr/86Sr）,,0.51259-0.51261 for INd,and ＋1.56 to ＋2.09 forεNd（t）.For ores and sulfides,the（87Sr/86Sr）i,7Nd,andεNd（t） values are in the range from 0.70440-0.70805,0.51259- 0.51279 and ＋1.72 to ＋5.56,respectively.The Pb isotopic ratios of the granitic complex range from 18.2992-18.6636 for 206Pb/204Pb,from 15.5343-15.5660 for 207Pb/204Pb,and from 38.1640-38.5657 for 208Pb/204Pb For diorite-porphyrite,the isotopic ratios of 206Pb/204Pb,207Pb/204Pb and 208Pb/204Pb are 18.3919,15.5794 and 38.3566,respectively,whereas those of the ores and ore sulfides vary from 18.2275-18.3770 for 206Pb/204Pb,from 15.5555-15.5934 for 207Pb/204Pb and from 38.1318-38.3131 for 208Pb/204Pb.The results indicate that the mineralization was correlated to the formation and evolution of the granitic complex and the diorite-porphyrite.Combining with the reported data in petrologic characteristics,elemental geochemistry and chronology,conclusions can be drawn that the geodynamic settings of diagenesis and metallogenesis of this deposit were consistent with the subduction of the Izanagi oceanic plate during the Early Cretaceous.The diorite-porphyrite was formed by the emplacement of the adakitic magma triggered by partial melting of the enriched mantle,which originated from the derivative continental lithospheric mantle metasomatized by dehydration fluids from the subducting oceanic crust.The granitic complex was produced by fractional crystallization of the mixture between the adakitic magma and the high-K calc-alkaline acidic magma,which were generated by the remelting of the lower crust in the course of intraplate upwelling of the adakitic magma.The ore-bearing fluid reservoir convened in a late stage of the evolution of the mixed magma chamber.展开更多
Gold powder is compressed non-hydrostatically up to 127 GPa in a diamond anvil cell （DAC）, and its angle dispersive X-ray diffraction patterns are recorded. The compressive strength of gold is investigated in a fram...Gold powder is compressed non-hydrostatically up to 127 GPa in a diamond anvil cell （DAC）, and its angle dispersive X-ray diffraction patterns are recorded. The compressive strength of gold is investigated in a framework of the lattice strain theory by the line shift analysis. The result shows that the compressive strength of gold increases continuously with the pressure up to 106 GPa and reaches 2.8 GPa at the highest experimental pressure （127 GPa） achieved in our study. This result is in good agreement with our previous experimental result in a relevant pressure range. The compressive strength of gold may be the major source of the error in the equation-of-state measurement in various pressure environments.展开更多
Conventional geochemical exploration for gold deposits has not always been very satisfactory, especially for buried and blind ones. New considerations and methodology in sampling, analysis and interpretation have been...Conventional geochemical exploration for gold deposits has not always been very satisfactory, especially for buried and blind ones. New considerations and methodology in sampling, analysis and interpretation have been developed in China during the past decade. Important considerations for unconventional gold exploration in this paper are that (1) gold is active in surface environments; (2) gold occurs not only as discrete grains, but also as ultrafine particles (submicron?to nanometer-sized particles of gold) and other complex forms; (3) regional low anomalies and superimposed anomalies over buried gold deposits are produced by ultrafine gold grains and other complex forms of gold. The methodology based on these considerations has been developed both in regional and in local geochemical exploration for gold. Examples of the preliminary application of these methods in two areas covered by transported overburden are given.展开更多
We measured the photoelectron spectra of AuC_(n)^(-)(n=3-8)and conducted theoretical study on the structures and properties of AuC_(n)^(-/0)(n=3-8).It is found that the photoelectron spectra of AuC_(n)^(-)exhibit odd-...We measured the photoelectron spectra of AuC_(n)^(-)(n=3-8)and conducted theoretical study on the structures and properties of AuC_(n)^(-/0)(n=3-8).It is found that the photoelectron spectra of AuC_(n)^(-)exhibit odd-even alternation.The spectral features of AuC_(3)^(-),AuC_(5)^(-),and AuC_(7)^(-)are much broader than those of AuC_(4)^(-),AuC_(6)^(-),and AuC_(5)^(-).The vertical detachment energies of AuC_(3)^(-),AuC_(5)^(-),and AuC_(7)^(-)are lower than those of AuC_(4)^(-),AuC_(6)^(-),and AuCs_(8)^(-).The most stable structures of AuC_(n)^(-)(n=3-8)are chain structures.The most stable structures of neutral AuC_(n)(n=3-8)are linear structures except that those of AuC_(3) and AuC_(5) are slightly bent.The calculated∠AuCC angles,Au-C bond lengths,and the charges on Au atom also show odd-even alternations,consistent with the experimental observations.展开更多
Employing first-principles methods, based on the density functional theory, this paper investigates the ground state geometric and electronic properties of pure gold clusters, pure yttrium clusters and gold clusters d...Employing first-principles methods, based on the density functional theory, this paper investigates the ground state geometric and electronic properties of pure gold clusters, pure yttrium clusters and gold clusters doped each with one yttrium atom. It is shown that the average bond lengths in the Aun-1Y（n≤9） bimetallic clusters are shorter than those in the corresponding pure gold and yttrium clusters. The most stable isomers of the yttrium-doped gold clusters tend to equally delocalize valence s, p and d electrons of the constituent atoms over the entire structure. The Y atom has maximum number of neighbouring Au atom, which tends to be energetically favourable in the lowest-energy equilibrium structures, because the Au-Y bond is stronger than the Au-Au bond. The three-dimensional isomers of Aun-1Y structures are found in an early appearance starting at n=5 （Au4Y）. Calculated vertical ionization potential and electron affinities as a function of the cluster size show odd-even oscillatory behaviour, and resemble pure gold clusters. However, one of the most striking feature of pure yttrium clusters is the absence of odd-even alternation, in agreement with mass spectrometric observations. The HOMO LUMO gap of Au3Y is the biggest in all the doped Aun-1Y（n≤9） bimetallic clusters.展开更多
基金Projects(51504109,51504107)supported by the National Natural Science Foundation of China
文摘Various incorporation of Au in pyrite and its effects on the geometrical structure,electronic structure and flotability of pyrite were theoretically investigated and fully discussed by performing density functional theory(DFT).The calculated incorporation energy shows that gold would most likely exist in pyrite via incorporating into interstitial lattice sites in the absence of As impurity.As a result of incorporated Au,the covalence levels of the S—Fe and S—S bonds are changed,and the tonicity of Au—S bonds and antibonding of Au—Fe bonds are found to form in the pyrite,which would change the natural flotability of pyrite.The Au impurity energy levels are introduced into the energy band and result in the transformation of pyrite semiconductivity type.The calculated band-gap value suggests that the incorporated Au significantly decreases pyrite semiconductivity level,which enhances the formation and the adsorption stability of dixanthogen during pyrite flotation.The DOS results reveal that the stability and depression difficulty level of pyrites increases in the following order:Fe_(32)S_(63)As<Fe_(32)S_(64)<Fe_(32)S_(63)As Au<Fe_(32)S_(64)Au.
基金Project supported by the National Natural Science Foundation of China (Grant No. 11104075)the Fundamental Research Funds for the Central Universities of China (Grant No. WM0911005)
文摘Discovering highly stable metal fullerenes such as the celebrated C 60 is interesting in cluster science as they have potential applications as building blocks in new nanostructures.We here investigated the structural and electronic properties of the fullerenes M 12 @Au 20（M=Na,Al,Ag,Sc,Y,La,Lu,and Au）,using a first-principles investigation with the density functional theory.It is found that these compound clusters possess a similar cage structure to the icosahedral Au 32 fullerene.La 12 @Au 20 is found to be particularly stable among these clusters.The binding energy of La 12 @Au 20 is 3.43 eV per atom,1.05 eV larger than that in Au 32.The highest occupied molecular orbital-lowest unoccupied molecular orbital（HOMO-LUMO） gap of La 12 @Au 20 is only 0.31 eV,suggesting that it should be relatively chemically reactive.
文摘27 January 2014San Francisco,CA,USA-The International Council of Ophthalmology(ICO)Board of Trustees is pleased to announce the selection of Richard L.Abbott,MD,as the 2014 International Duke Elder medalist.The Duke Elder Medal is awarded every four years to an ophthalmologist who,by his/her distinction,leadership,and teaching,has contributed most to the development of international relations and friendship between ophthalmologists,and who has advanced the field by his/her contributions in writing and organization in ophthalmology.
文摘Juggling People on the Springboard by Shenzhen Fuyong Acrobatic Troupe won the gold medal on the 5th National Youth Acrobatic Contest. As a young private-owned acrobatic troupe founded in 2001, it is the second time for it to win the gold medal on the National Youth Acrobatic Contest. However, it is
文摘This paper mainly by using the method of literature, mathematical statistics, the Beijing Olympic gold medal to our country distribution of statistical analysis, aiming at improving the Chinese competitive sports scores, strengthening our country provides the reference for the development of the Olympic Games and countermeasures, make our country to create more outstanding achievemenL and soon become physical power.
基金This work was supported by the National Natural Science Foundation of China(No.22273065 and No.21673158)Science&Technology Commission of Shanghai Municipality(14DZ2261100).
基金supported by the National Natural Science Foundation of China(Nos.40472050 and 40772050)the Natural Science Foundation of Jilin Provincial Science and Technology(grant no.20080452)+1 种基金funds from the State Key Laboratory for Mineral Deposits Research,Nanjing University(2006-2005,2006- 2008)Key Laboratory of Mineral Resources, Chinese Academy of Sciences(2009-2012)
文摘An isotopic study was systemically carried out on the granitic complex,diorite-porphyrite, ores and ore minerals of the 103 Ma Xiaoxinancha gold-rich copper deposit in Jilin province to determine the geodynamic model of diagenesis and metallogenesis.Results show that the initial Nd and Sr isotopic compositions of the granitic complex are in the range of 0.70425-0.70505 for（87Sr/86Sr）i, 0.51243-0.51264 for INd,and -1.31 to ＋2.64 forεNd（t）;those of the diorite-porphyrite are in the range from 0.70438-0.70448 for（87Sr/86Sr）,,0.51259-0.51261 for INd,and ＋1.56 to ＋2.09 forεNd（t）.For ores and sulfides,the（87Sr/86Sr）i,7Nd,andεNd（t） values are in the range from 0.70440-0.70805,0.51259- 0.51279 and ＋1.72 to ＋5.56,respectively.The Pb isotopic ratios of the granitic complex range from 18.2992-18.6636 for 206Pb/204Pb,from 15.5343-15.5660 for 207Pb/204Pb,and from 38.1640-38.5657 for 208Pb/204Pb For diorite-porphyrite,the isotopic ratios of 206Pb/204Pb,207Pb/204Pb and 208Pb/204Pb are 18.3919,15.5794 and 38.3566,respectively,whereas those of the ores and ore sulfides vary from 18.2275-18.3770 for 206Pb/204Pb,from 15.5555-15.5934 for 207Pb/204Pb and from 38.1318-38.3131 for 208Pb/204Pb.The results indicate that the mineralization was correlated to the formation and evolution of the granitic complex and the diorite-porphyrite.Combining with the reported data in petrologic characteristics,elemental geochemistry and chronology,conclusions can be drawn that the geodynamic settings of diagenesis and metallogenesis of this deposit were consistent with the subduction of the Izanagi oceanic plate during the Early Cretaceous.The diorite-porphyrite was formed by the emplacement of the adakitic magma triggered by partial melting of the enriched mantle,which originated from the derivative continental lithospheric mantle metasomatized by dehydration fluids from the subducting oceanic crust.The granitic complex was produced by fractional crystallization of the mixture between the adakitic magma and the high-K calc-alkaline acidic magma,which were generated by the remelting of the lower crust in the course of intraplate upwelling of the adakitic magma.The ore-bearing fluid reservoir convened in a late stage of the evolution of the mixed magma chamber.
基金Project supported by the Defense Industrial Technology Development Program (Grant No. B1520110001)the Fund of Key Laboratory of Shock Wave and Detonation Physics of China (Grant No. 9140C6703031002)supported by Chinese Academy of Sciences (Grant Nos. KJCX2-SW-N03 and KJCX2SW-N20)
文摘Gold powder is compressed non-hydrostatically up to 127 GPa in a diamond anvil cell （DAC）, and its angle dispersive X-ray diffraction patterns are recorded. The compressive strength of gold is investigated in a framework of the lattice strain theory by the line shift analysis. The result shows that the compressive strength of gold increases continuously with the pressure up to 106 GPa and reaches 2.8 GPa at the highest experimental pressure （127 GPa） achieved in our study. This result is in good agreement with our previous experimental result in a relevant pressure range. The compressive strength of gold may be the major source of the error in the equation-of-state measurement in various pressure environments.
基金This research represents a portion of the State Eighth Five-Year Plan Key ScienceTechnology Project "Unconventional Geochemical Exploration for Gold" supported by the State Science and Technology Commission of Chinathe National Gold Bureau of China
文摘Conventional geochemical exploration for gold deposits has not always been very satisfactory, especially for buried and blind ones. New considerations and methodology in sampling, analysis and interpretation have been developed in China during the past decade. Important considerations for unconventional gold exploration in this paper are that (1) gold is active in surface environments; (2) gold occurs not only as discrete grains, but also as ultrafine particles (submicron?to nanometer-sized particles of gold) and other complex forms; (3) regional low anomalies and superimposed anomalies over buried gold deposits are produced by ultrafine gold grains and other complex forms of gold. The methodology based on these considerations has been developed both in regional and in local geochemical exploration for gold. Examples of the preliminary application of these methods in two areas covered by transported overburden are given.
基金supported by the Beijing Municipal Science&Technology Commission(No.Z191100007219009)。
文摘We measured the photoelectron spectra of AuC_(n)^(-)(n=3-8)and conducted theoretical study on the structures and properties of AuC_(n)^(-/0)(n=3-8).It is found that the photoelectron spectra of AuC_(n)^(-)exhibit odd-even alternation.The spectral features of AuC_(3)^(-),AuC_(5)^(-),and AuC_(7)^(-)are much broader than those of AuC_(4)^(-),AuC_(6)^(-),and AuC_(5)^(-).The vertical detachment energies of AuC_(3)^(-),AuC_(5)^(-),and AuC_(7)^(-)are lower than those of AuC_(4)^(-),AuC_(6)^(-),and AuCs_(8)^(-).The most stable structures of AuC_(n)^(-)(n=3-8)are chain structures.The most stable structures of neutral AuC_(n)(n=3-8)are linear structures except that those of AuC_(3) and AuC_(5) are slightly bent.The calculated∠AuCC angles,Au-C bond lengths,and the charges on Au atom also show odd-even alternations,consistent with the experimental observations.
基金Project supported by the Education Committee of Chongqing (Grant No KJ051105)the National Natural Science Foundation of China (Grant No 10276028)
文摘Employing first-principles methods, based on the density functional theory, this paper investigates the ground state geometric and electronic properties of pure gold clusters, pure yttrium clusters and gold clusters doped each with one yttrium atom. It is shown that the average bond lengths in the Aun-1Y（n≤9） bimetallic clusters are shorter than those in the corresponding pure gold and yttrium clusters. The most stable isomers of the yttrium-doped gold clusters tend to equally delocalize valence s, p and d electrons of the constituent atoms over the entire structure. The Y atom has maximum number of neighbouring Au atom, which tends to be energetically favourable in the lowest-energy equilibrium structures, because the Au-Y bond is stronger than the Au-Au bond. The three-dimensional isomers of Aun-1Y structures are found in an early appearance starting at n=5 （Au4Y）. Calculated vertical ionization potential and electron affinities as a function of the cluster size show odd-even oscillatory behaviour, and resemble pure gold clusters. However, one of the most striking feature of pure yttrium clusters is the absence of odd-even alternation, in agreement with mass spectrometric observations. The HOMO LUMO gap of Au3Y is the biggest in all the doped Aun-1Y（n≤9） bimetallic clusters.
