Oxide-supported transition metal systems have been the subject of enormous interest due to the improvement of catalytic properties relative to the separate metal.Thus in this paper,we embark on a systematic study for ...Oxide-supported transition metal systems have been the subject of enormous interest due to the improvement of catalytic properties relative to the separate metal.Thus in this paper,we embark on a systematic study for Pd n （n=1-5） clusters adsorbed on TiO2 （110） surface based on DFT-GGA calculations utilizing periodic supercell models.A single Pd adatom on the defect-free surface prefers to adsorb at a hollow site bridging a protruded oxygen and a five-fold titanium atom along the [110] direction,while Pd dimer is located on the channels with the Pd-Pd bond parallel to the surface.According to the transition states （TSs） search,the adsorbed Pd trimer tends to triangular growth mode,rather than linear mode,while the Pd4 and Pd5 clusters prefer three-dimensional （3D） models.However,the oxygen vacancy has almost no influence on the promotion of Pd n cluster nucleation.Additionally,of particular significance is that the Pd-TiO2 interaction is the main driving force at the beginning of Pd nucleation,whereas the Pd-Pd interaction gets down to control the growth process of Pd cluster as the cluster gets larger.It is hoped that our theoretical study would shed light on further designing high-performance TiO2 supported Pd-based catalysts.展开更多
The ZnO sol well-crystallized was prepared by the sol-gel method. The ZnO films were coated on medical-grade PVC surface by the improved organic-inorganic interfacial adhesion method. The physical and photocatalytic p...The ZnO sol well-crystallized was prepared by the sol-gel method. The ZnO films were coated on medical-grade PVC surface by the improved organic-inorganic interfacial adhesion method. The physical and photocatalytic properties of the samples were characterized by XRD, SEM, DRS spectra and measured by the photodegradation reaction of Rho-damine B (RhB) and anti-bacteria for Escherichia coli (E. coli), respectively. The results show that pretreatment of PVC by the mix solution of THF-PVC helps to improve the amount and adhesion strength of ZnO suspension to PVC surface. The photocatalytic and antibacterial properties of the THF-ZnO/PVC film are better than that of the ZnO/PVC and neat PVC. Under UV irradiation, the THF-ZnO/PVC film shows the best antibacterial properties with 99% kill rate of bacteria.展开更多
For a long time, there has been global concern over the environment and energy problems. Recently, the problems, which have brought about serious effect on the global living condition, have been in the ‘‘spotlight&q...For a long time, there has been global concern over the environment and energy problems. Recently, the problems, which have brought about serious effect on the global living condition, have been in the ‘‘spotlight" and given impetus to the universal's efforts to head for the same direction: stem the worst warming and strive for the renewable energy source. Hydrogen peroxide(H_2O_2) is undoubtedly a good choice,which holds the promise as a clean, efficient, safe and transferrable energy carrier. Octahedral coordination polymer, Cd_3(C_3N_3S_3)_2, was found to be a robust photocatalyst for H_2O_2 generation under visible light irradiation. To further improve the H_2O_2 generation efficiency, adhering the octahedron to reduced graphene(rGO) was applied as the strategy herein. The study shows that by adhering Cd_3(C_3N_3S_3)_2to rGO, the formation of H_2O_2 is 2.5-fold enhanced and its deformation is concurrently suppressed. This work not only demonstrates the effectiveness of adhering Cd_3(C_3N_3S_3)_2polymer to rGO for the improvement of the polymer's photocatalytic performance, but also proposes a general way for the fabrication of graphene/coordination compound hybrids for maximizing their synergy.展开更多
基金supported by the National Natural Science Foundation of China (90922022)the Foundation of State Key Laboratory of Coal Combustion of Huazhong University of Science and Technology (FSKLCC1110)the Natural Science Foundation of Fujian Province,China (2012J01032,2012J01041)
文摘Oxide-supported transition metal systems have been the subject of enormous interest due to the improvement of catalytic properties relative to the separate metal.Thus in this paper,we embark on a systematic study for Pd n （n=1-5） clusters adsorbed on TiO2 （110） surface based on DFT-GGA calculations utilizing periodic supercell models.A single Pd adatom on the defect-free surface prefers to adsorb at a hollow site bridging a protruded oxygen and a five-fold titanium atom along the [110] direction,while Pd dimer is located on the channels with the Pd-Pd bond parallel to the surface.According to the transition states （TSs） search,the adsorbed Pd trimer tends to triangular growth mode,rather than linear mode,while the Pd4 and Pd5 clusters prefer three-dimensional （3D） models.However,the oxygen vacancy has almost no influence on the promotion of Pd n cluster nucleation.Additionally,of particular significance is that the Pd-TiO2 interaction is the main driving force at the beginning of Pd nucleation,whereas the Pd-Pd interaction gets down to control the growth process of Pd cluster as the cluster gets larger.It is hoped that our theoretical study would shed light on further designing high-performance TiO2 supported Pd-based catalysts.
文摘The ZnO sol well-crystallized was prepared by the sol-gel method. The ZnO films were coated on medical-grade PVC surface by the improved organic-inorganic interfacial adhesion method. The physical and photocatalytic properties of the samples were characterized by XRD, SEM, DRS spectra and measured by the photodegradation reaction of Rho-damine B (RhB) and anti-bacteria for Escherichia coli (E. coli), respectively. The results show that pretreatment of PVC by the mix solution of THF-PVC helps to improve the amount and adhesion strength of ZnO suspension to PVC surface. The photocatalytic and antibacterial properties of the THF-ZnO/PVC film are better than that of the ZnO/PVC and neat PVC. Under UV irradiation, the THF-ZnO/PVC film shows the best antibacterial properties with 99% kill rate of bacteria.
基金financially supported by the National Natural Science Foundation of China(21003021 and 21373051)
文摘For a long time, there has been global concern over the environment and energy problems. Recently, the problems, which have brought about serious effect on the global living condition, have been in the ‘‘spotlight" and given impetus to the universal's efforts to head for the same direction: stem the worst warming and strive for the renewable energy source. Hydrogen peroxide(H_2O_2) is undoubtedly a good choice,which holds the promise as a clean, efficient, safe and transferrable energy carrier. Octahedral coordination polymer, Cd_3(C_3N_3S_3)_2, was found to be a robust photocatalyst for H_2O_2 generation under visible light irradiation. To further improve the H_2O_2 generation efficiency, adhering the octahedron to reduced graphene(rGO) was applied as the strategy herein. The study shows that by adhering Cd_3(C_3N_3S_3)_2to rGO, the formation of H_2O_2 is 2.5-fold enhanced and its deformation is concurrently suppressed. This work not only demonstrates the effectiveness of adhering Cd_3(C_3N_3S_3)_2polymer to rGO for the improvement of the polymer's photocatalytic performance, but also proposes a general way for the fabrication of graphene/coordination compound hybrids for maximizing their synergy.
