Inorganic-organic hybrid materials are promising for application in the field of photocatalysis because of their excellent properties.Therefore,their syntheses,mechanisms,and applications are reviewed in this paper.Fi...Inorganic-organic hybrid materials are promising for application in the field of photocatalysis because of their excellent properties.Therefore,their syntheses,mechanisms,and applications are reviewed in this paper.First,we introduce the role of inorganic-organic photocatalysts,their advantages and disadvantages,and their design principles.Second,we present the top-down and bottom-up synthesis methods of the hybrid materials.The interaction between inorganic and organic components in hybrid materials is discussed,followed by how to improve inorganic-organic photocatalysts.Third,the applications of hybrid materials in the field of photocatalysis,such as realizing hydrogen evolution,organic pollutant degradation,heavy metals and CO_(2) reduction,sterilization,and nitrogen fixation,are examined.Finally,the application prospects and development directions of inorganic-organic hybrid materials are explored and the unsolved problems are described.展开更多
The simultaneous integration of heteroatom doping and surface plasmon resonance(SPR) modulation on semiconductor photocatalysts could be capable of improving visible light utilization and charge separation, achieving ...The simultaneous integration of heteroatom doping and surface plasmon resonance(SPR) modulation on semiconductor photocatalysts could be capable of improving visible light utilization and charge separation, achieving better solar light conversion and photocatalysis efficiency. For this purpose, we have designed a novel Bi quantum dots(QDs) implanted C-doped BiOCl photocatalyst(C/BOC/B) for NOx removal. The feasibility was firstly evaluated through density functional theory(DFT) calculations methods, which indicates that the enhanced photocatalytic performance could be expected owing to the synergistic effects of doped C heteroatoms and loaded Bi QDs. Then, the C/BOC/B was synthesized via a facile hydrothermal method and exhibited efficient and stable visible light photocatalytic NO removal. The results found that the doped C atoms can serve as electron guides to induce oriented charge transfer from Bi QDs to BiOCl, while the Bi QDs can act as light-capture and electron-donating sites. The reaction pathway and mechanism for NO conversion was unveiled by in situ Fourier-transform infrared spectroscopy combined with DFT calculation. The enhanced adsorption of reactants and intermediates could promote the overall reaction efficiency and selectivity in photocatalytic NO conversion. This work could provide a new perspective on the mechanistic understanding of the synergistic effects toward non-metal doping and SPR effects in semiconductor photocatalysts, and this presented technique could be extended for other semiconductor materials.展开更多
The growth mechanisms of carbon nanofibers on Ni catalysts and nitrogen-doped carbon nanofibers on Ni and Ni-Cu catalysts were studied.The growth of both types of nanofibers was found to occur by a mechanism that incl...The growth mechanisms of carbon nanofibers on Ni catalysts and nitrogen-doped carbon nanofibers on Ni and Ni-Cu catalysts were studied.The growth of both types of nanofibers was found to occur by a mechanism that included the formation of surface non-stoichiometric nickel carbide followed by the dissolution and diffusion of carbon,or carbon and nitrogen into the bulk of the catalyst particles.展开更多
The electronic structure, magnetic and half-metal properties of inorganic-organic hybrid compound [C4N2H12][FeoI （HP03）2 （（72 04）3] are investigated by using the full-potential linearized augmented plane wave （F...The electronic structure, magnetic and half-metal properties of inorganic-organic hybrid compound [C4N2H12][FeoI （HP03）2 （（72 04）3] are investigated by using the full-potential linearized augmented plane wave （FPLAPW） method within density-functional theory （DFT） calculations. The density of states （DOS）, the total energy of the cell and the spontaneous magnetic moment of [C4N2H12][FeII （HP03）2 （C2 04）3] are calculated. The calculation results reveal that the low-temperature phase of [C4N2H12][FeII （HP03）2（C204）3] exhibits a stable ferromagnetic （FM） ground state, and we find that this organic compound is a half-metal in FM state. In addition, we have calculated antiferromagnetically coupled interactions, revealing the existence of antiferromagnetic （AFM）, which is in agreement with the experiment. We have also found that [C4N2HI2][Fe4II （HP03）2（C204）3] is a semiconductor in the AFM state with a band gap of about 0.40 eV. Subsequently, the transport properties for potential thermoelectric applications have been studied in detail based on the Boltzmann transport theory.展开更多
In some fields such as Mathematics Mechanization, automated reasoning and Trustworthy Computing, etc., exact results are needed. Symbolic computations are used to obtain the exact results. Symbolic computations are of...In some fields such as Mathematics Mechanization, automated reasoning and Trustworthy Computing, etc., exact results are needed. Symbolic computations are used to obtain the exact results. Symbolic computations are of high complexity. In order to improve the situation, exact interpolating methods are often proposed for the exact results and approximate interpolating methods for the ap- proximate ones. In this paper, the authors study how to obtain exact interpolation polynomial with rational coefficients by approximate interpolating methods.展开更多
文摘Inorganic-organic hybrid materials are promising for application in the field of photocatalysis because of their excellent properties.Therefore,their syntheses,mechanisms,and applications are reviewed in this paper.First,we introduce the role of inorganic-organic photocatalysts,their advantages and disadvantages,and their design principles.Second,we present the top-down and bottom-up synthesis methods of the hybrid materials.The interaction between inorganic and organic components in hybrid materials is discussed,followed by how to improve inorganic-organic photocatalysts.Third,the applications of hybrid materials in the field of photocatalysis,such as realizing hydrogen evolution,organic pollutant degradation,heavy metals and CO_(2) reduction,sterilization,and nitrogen fixation,are examined.Finally,the application prospects and development directions of inorganic-organic hybrid materials are explored and the unsolved problems are described.
文摘The simultaneous integration of heteroatom doping and surface plasmon resonance(SPR) modulation on semiconductor photocatalysts could be capable of improving visible light utilization and charge separation, achieving better solar light conversion and photocatalysis efficiency. For this purpose, we have designed a novel Bi quantum dots(QDs) implanted C-doped BiOCl photocatalyst(C/BOC/B) for NOx removal. The feasibility was firstly evaluated through density functional theory(DFT) calculations methods, which indicates that the enhanced photocatalytic performance could be expected owing to the synergistic effects of doped C heteroatoms and loaded Bi QDs. Then, the C/BOC/B was synthesized via a facile hydrothermal method and exhibited efficient and stable visible light photocatalytic NO removal. The results found that the doped C atoms can serve as electron guides to induce oriented charge transfer from Bi QDs to BiOCl, while the Bi QDs can act as light-capture and electron-donating sites. The reaction pathway and mechanism for NO conversion was unveiled by in situ Fourier-transform infrared spectroscopy combined with DFT calculation. The enhanced adsorption of reactants and intermediates could promote the overall reaction efficiency and selectivity in photocatalytic NO conversion. This work could provide a new perspective on the mechanistic understanding of the synergistic effects toward non-metal doping and SPR effects in semiconductor photocatalysts, and this presented technique could be extended for other semiconductor materials.
基金financially supported by the Russian Science Foundation(Project No.15-13-10043)
文摘The growth mechanisms of carbon nanofibers on Ni catalysts and nitrogen-doped carbon nanofibers on Ni and Ni-Cu catalysts were studied.The growth of both types of nanofibers was found to occur by a mechanism that included the formation of surface non-stoichiometric nickel carbide followed by the dissolution and diffusion of carbon,or carbon and nitrogen into the bulk of the catalyst particles.
基金Supported by the National Natural Science Foundation of China under Grant No.11104231
文摘The electronic structure, magnetic and half-metal properties of inorganic-organic hybrid compound [C4N2H12][FeoI （HP03）2 （（72 04）3] are investigated by using the full-potential linearized augmented plane wave （FPLAPW） method within density-functional theory （DFT） calculations. The density of states （DOS）, the total energy of the cell and the spontaneous magnetic moment of [C4N2H12][FeII （HP03）2 （C2 04）3] are calculated. The calculation results reveal that the low-temperature phase of [C4N2H12][FeII （HP03）2（C204）3] exhibits a stable ferromagnetic （FM） ground state, and we find that this organic compound is a half-metal in FM state. In addition, we have calculated antiferromagnetically coupled interactions, revealing the existence of antiferromagnetic （AFM）, which is in agreement with the experiment. We have also found that [C4N2HI2][Fe4II （HP03）2（C204）3] is a semiconductor in the AFM state with a band gap of about 0.40 eV. Subsequently, the transport properties for potential thermoelectric applications have been studied in detail based on the Boltzmann transport theory.
基金supported by China 973 Frogram 2011CB302402the Knowledge Innovation Program of the Chinese Academy of Sciences(KJCX2-YW-S02)+1 种基金the National Natural Science Foundation of China(10771205)the West Light Foundation of the Chinese Academy of Sciences
文摘In some fields such as Mathematics Mechanization, automated reasoning and Trustworthy Computing, etc., exact results are needed. Symbolic computations are used to obtain the exact results. Symbolic computations are of high complexity. In order to improve the situation, exact interpolating methods are often proposed for the exact results and approximate interpolating methods for the ap- proximate ones. In this paper, the authors study how to obtain exact interpolation polynomial with rational coefficients by approximate interpolating methods.
