Based on the characteristics of friction stir welding( FSW) and Coulomb friction work theory,the residual stresses field of FSW joints of 6 N01 aluminum alloy( T5),which was used in high speed train,were calculated by...Based on the characteristics of friction stir welding( FSW) and Coulomb friction work theory,the residual stresses field of FSW joints of 6 N01 aluminum alloy( T5),which was used in high speed train,were calculated by using the ANSYS finite element software. During the FEM calculation,the dual heat source models namely the body heat source and surface heat source were used to explore the evolution law of the welding process to the residual stress field. The method of ultrasonic residual stress detecting was used to investigate the residual stresses field of the 6 N01 aluminum alloy FSW joints. The results show that the steady-state temperature of 6 N01 aluminum alloy during FSW is about 550 ℃,and the temperature mutates at the beginning and at end of welding. The longitudinal residual stress σ_x is the main stress,which fluctuates in the range of-25 to 242 MPa. Moreover,the stress in the range of shaft shoulder is tensile stress that the maximum tensile stress is 242 MPa,and the stress in the outside of shaft shoulder is compressive stress that the maximum compressive stress is 25 MPa. The distribution of the tensile stress in the welding nugget zone( WNZ) is obviously bimodal,and the residual stress on the advancing side is higher than that on the retreating side. With the increasing of the welding speed,the maximum temperature decreased and the maximum residual stress decreased when the pin-wheel speed kept constant. With the increasing of the pin-wheel speed,the maximum temperature of the joint increased and the maximum residual stress increased when the welding speed was constant. The experimental results were in good agreement with the finite element results.展开更多
The CdS/spherical g-C3N4 n-n heterojunction photocatalyst was fabricated via a solvothermal method.The tetracycline was used to characterize the photocatalytic properties of the as-developed hybrids.The photocatalytic...The CdS/spherical g-C3N4 n-n heterojunction photocatalyst was fabricated via a solvothermal method.The tetracycline was used to characterize the photocatalytic properties of the as-developed hybrids.The photocatalytic degradation mechanism of the as-developed heterojunction photocatalyst was also analyzed.Research results show that CdS nanoparticles are well dispersed in the surface layer of spherical g-C3N4.Moreover,the mass ratio of CdS to spherical g-C3N4 will influence the photocatalytic activity of the asdeveloped composites,which shows the trend of first increasing and then decreasing as it increased.When the mass ratio is 7:1,in 25 min,the as-developed heterojunction shows 93.2%of the maximum photocatalytic efficiency and still exhibits 83.6%after 5 times cycle testing.Moreover,the as-developed hybrids can accelerate the electron transport and improve the separation efficiency of photo-generated carriers compared with pure samples.In addition,the holes and superoxide radicals are dominating active species during the photocatalytic degradation process.展开更多
The chemical and physical interactions in the interfacial transition zone (ITZ) between three different types of coarse aggregates (limestone, granite and basalt) and cement paste were investigated. The results sh...The chemical and physical interactions in the interfacial transition zone (ITZ) between three different types of coarse aggregates (limestone, granite and basalt) and cement paste were investigated. The results show that all the aggregates are chemically active. Significant amounts of Ca2+, K+, and Na+ are absorbed by all the aggregates from the cement solution, granite and basalt also absorb significant amounts of OH- and release significant amounts of Si4+ into cement solution. The XRD, EDXA and pore structure results of the ITZ also show that more clinkers participate in the cement hydration in the ITZ of granite and basalt, and more hydrates are generated, hence resulting in a denser ITZ structure with a lower content of maeropores. Although the limestone has the least activity, the connection between it and cement paste is tight, due to its rough surface and higher water absorption. Whereas the granite with smooth surface and lower water absorption has a loose connection with cement paste, many pores and cracks are visible, which is very detrimental to the concrete durability.展开更多
For constructing next-generation lithium-ion batteries with advanced performances,pursuit of highcapacity Li-rich cathodes has caused considerable attention.So far,the low discharge specific capacity and serious capac...For constructing next-generation lithium-ion batteries with advanced performances,pursuit of highcapacity Li-rich cathodes has caused considerable attention.So far,the low discharge specific capacity and serious capacity fading are strangling the development of Fe-based Li-rich materials.To activate the extra-capacity of Fe-based Li-rich cathode materials,a facile molten salt method is exploited using an alkaline mixture of LiOH–LiNO3–Li2O2 in this work.The prepared Li1.09(Fe0.2Ni0.3Mn0.5)0.91O2 material yields high discharge specific capacity and good cycling stability.The discharge specific capacity shows an upward tendency at 0.1 C.After 60 cycles,a high reversible specific capacity of ~250 m Ah g-1is delivered.The redox of Fe3+/Fe4+and Mn3+/Mn4+are gradually activated during cycling.Notably,the redox reaction of Fe2+/Fe3+can be observed reversibly below 2 V,which is quite different from the material prepared by a traditional co-precipitation method.The stable morphology of fine nanoparticles(100–300 nm)is considered benefiting for the distinctive electrochemical performances of Li1.09(Fe0.2Ni0.3Mn0.5)0.91O2.This study demonstrates that molten salt method is an inexpensive and effective approach to activate the extra capacity of Fe-based Li-rich cathode material for high-performance lithium-ion batteries.展开更多
Zn2SnO4/few-layer boron nitride nanosheets (FBNNS) hybrids were synthesized via a one-step hydrothermal method. The structures, morphology, optical properties, electron transformation and separation of the as-prepared...Zn2SnO4/few-layer boron nitride nanosheets (FBNNS) hybrids were synthesized via a one-step hydrothermal method. The structures, morphology, optical properties, electron transformation and separation of the as-prepared products were characterized by X-ray diffraction, transmission electrical microscopy, UV-vis diffuse reflectance spectroscopy and electrochemical impedance spectroscopy, respectively. Rhodamine B was used to evaluate the photocatalytic activities of the as-prepared samples under visible light illumination. The photocatalytic mechanism was also explored. Experimental results showed that the degradation efficiency of rhodamine B was firstly increased and then decreased with increasing the usage amount of FBNNS. When it was 9 wt% based on the weight of Zn2SnO4, the degradation efficiency of the as-prepared Zn2SnO4/FBNNS-9 wt% composites reached to the maximum of 97.5 % in 180 min, which was higher than 39.2 % of pure Zn2SnO4. Moreover, the holes played mainly active roles in photocatalytic reaction process. In addition, the as-prepared hybrids could enhance the separation efficiency of photoexcited carriers compared to pure Zn2SnO4.展开更多
SnO2/AgIO4 hybrids were fabricated by an in-situ synthetic method at room temperature. The structure, morphology, light response range, separation efficiency of the electron-hole pairs and elements of the as-synthesiz...SnO2/AgIO4 hybrids were fabricated by an in-situ synthetic method at room temperature. The structure, morphology, light response range, separation efficiency of the electron-hole pairs and elements of the as-synthesized samples were characterized by adopting X-ray diffraction, scanning electron microscopy, UV-Vis diffuse reflectance spectroscopy, electrochemical impedance spectroscopy and X-ray photoelectron spectroscopy, respectively. The synergistically photocatalytic degradation mechanism of the as-synthesized composites was also proposed. The experimental results reveal that under the visible light irradiation the as-synthesized SnO2/AgIO4 hybrids can enhance the photocatalytic degradation efficiency of rhodamine B compared to pure samples. With increasing the molar ratios of AgIO4 to SnO2, it displays the trend of first increasing and then decreasing. When it is 1:2 in 150 min, the as-prepared hybrids have the highest degradation efficiency of 93.1%, which increases by 6550.0%, 30.5%, and 1505.0% compared to those of pure SnO2, AgIO4, and TiO2(P25), respectively. Moreover, the Sn-O-Ag cross-linking bonds are formed at the interfaces of SnO2 and AgIO4. In addition, superoxide anion radicals and holes play a major role in the process of photodegradation.展开更多
Herein, well-dispersed Palladium(Pd) nanoparticles(NPs) with good catalytic activities were prepared using a wood nanomaterial(WNM) as a reductant and a supporting agent. Various factors that influenced the NP morphol...Herein, well-dispersed Palladium(Pd) nanoparticles(NPs) with good catalytic activities were prepared using a wood nanomaterial(WNM) as a reductant and a supporting agent. Various factors that influenced the NP morphologies, including reaction time, temperature, and precursor concentration were studied. The as-prepared Pd NPs/WNM showed good catalytic performance for Suzuki coupling reactions.展开更多
Three different kinds of coatings were coated on the concrete surface, and the changes in appearance, surface roughness, microstructure and components of coatings in artificial sewage were investigated. In addition, t...Three different kinds of coatings were coated on the concrete surface, and the changes in appearance, surface roughness, microstructure and components of coatings in artificial sewage were investigated. In addition, the strength, micrograph, mineral compositions and pore structure of concrete specimens after removing coatings were also studied. The results show that epoxy coal tar pitch coating(ECTPC) has the best effect of protecting concrete from the sewage corrosion. After being immersed in sewage for 90 days, the compressive strength of concrete coated with ECTPC is still as high as that of specimen immersed in water, and the cement paste has a high CH content and dense structure with low porosity, which mainly accounts for its excellent barrier property and certain antibacterial function. Cement-based bactericidal coating(CBC) also has good effectiveness to sewage corrosion of concrete. The strength and microstructure of concrete coated with CBC in sewage are still significantly superior to those of uncoated concrete. Although cement-based capillary crystalline waterproofing coating(CCCWC) is a good waterproof material, it is not suitable for the corrosion resistance of concrete in sewage. After 2 months corrosion, almost all of the CH crystals in coating reacted with the metabolic acid substance by microbes. Therefore, the strength and pore structure of concrete coated with CCCWC are only slightly superior to those of uncoated concrete. Overall, the protective effect of cement-based inorganic coatings is relatively poor.展开更多
The energy band-gap and related factors of tantalum pentoxide with hexagonal phase were investigated using hybrid functional B3LYP and sX-LDA methods. The results showed that both sX-LDA and B3LYP techniques reveal th...The energy band-gap and related factors of tantalum pentoxide with hexagonal phase were investigated using hybrid functional B3LYP and sX-LDA methods. The results showed that both sX-LDA and B3LYP techniques reveal the indirect semiconductor nature of δ-Ta2O5, whereas the obtained value of energy band-gap is much higher than previous theoretical reports but closer to the experimental data. The optical band- gap of δ-Ta2O5 is expected to originate from the O 2p→Ta 5d transition which may benefit from the d-s-p hybridization.展开更多
The SnO2 quantum dots(SnO2QDs)/ZnS nanosheets(ZnSNs)heterojunction was fabricated via an in-situ synthetic method at room temperature.Rhodamine B,potassium dichromate,and tetracycline were used to discuss the photocat...The SnO2 quantum dots(SnO2QDs)/ZnS nanosheets(ZnSNs)heterojunction was fabricated via an in-situ synthetic method at room temperature.Rhodamine B,potassium dichromate,and tetracycline were used to discuss the photocatalytic activities of the as-prepared samples under the visible light illumination.The photocatalytic mechanism of the as-prepared samples was also proposed.The experimental results indicate that the degradation efficiency of the as-prepared SnO2QDs/ZnSNs heterojunction first increases and then decreases with increasing the usage of ZnSNs.When the mass ratio of SnO2QDs to ZnSNs is 1:2 in 180 min,the as-prepared samples have the highest degradation efficiency of 89.1%for rhodamine B,97.7%for potassium dichromate,and 83.8%for tetracycline,which are much higher than 51.7%,26.8%,and 0.9%of pure SnO2QDs as well as 37.9%,87.1%,and 19.1%of pure ZnSNs,respectively.After it is repeatedly degraded for 3 times,it possesses the degradation efficiency of 62.5%for rhodamine B,which increases by 200.5%in comparison with 20.8%of the pure SnO2QDs.Moreover,the enhanced photocatalytic performances of the as-prepared hybrids are attributed to the formation of heterojunction between the SnO2QDs and ZnSNs.In addition,hydroxyl radicals and superoxide anion radicals play major roles during the photocatalytic degradation process,while holes play a minor role.展开更多
We present the specific ab-initio calculations that detail the variations of perovskite BaZrO3 caused by in-plane strain. Specifically, the internal relaxation, which was not captured in the widely used biaxial strain...We present the specific ab-initio calculations that detail the variations of perovskite BaZrO3 caused by in-plane strain. Specifically, the internal relaxation, which was not captured in the widely used biaxial strain model, was included in a complementary manner to lattice relaxation. Density functional theory as well as a hybrid functional method based on a plane wave basis set was employed to calculate the lattice structure, elastic constants, electronic properties and optical properties of perovskite BaZrO3. The lattice parameter c exhibited a clear linear dependence on the imposed in-plane strain, but the Poisson's ratio caused by internal relaxation was smaller than the elastic deformation, indicating an "inelastic" or "plastic" relaxation manner caused by the introduction of internal relaxation. As a result, the related electronic and optical properties of perovskite BaZrO3 were also strongly affected by the in-plane strain, which revealed an effective way to adjust the properties of perovskite BaZrO3 via internal relaxation.展开更多
For the first time,we report an environmentally benign process for the preparation of Pt,Au and Pd NPs at ambient atmospheric pressure in aqueous systems,using water-insoluble alkali lignin(AL)and hemicelluloses as re...For the first time,we report an environmentally benign process for the preparation of Pt,Au and Pd NPs at ambient atmospheric pressure in aqueous systems,using water-insoluble alkali lignin(AL)and hemicelluloses as reducing/protective agents.Both AL and hemicelluloses showed good performances.The solid AL acted as support for metal NPs.The metal particles reduced by hemicelluloses aggregated to larger particles,and the degree of aggregation increased over time.展开更多
基金supported by the Natural Science Foundation of Hebei(Grant No.2016210050)Natural Science Foundation of Jiangsu(Grant No.BK20141181)Innovative Funding Projects of Graduate Student of Hebei(Grant No.2017010)
文摘Based on the characteristics of friction stir welding( FSW) and Coulomb friction work theory,the residual stresses field of FSW joints of 6 N01 aluminum alloy( T5),which was used in high speed train,were calculated by using the ANSYS finite element software. During the FEM calculation,the dual heat source models namely the body heat source and surface heat source were used to explore the evolution law of the welding process to the residual stress field. The method of ultrasonic residual stress detecting was used to investigate the residual stresses field of the 6 N01 aluminum alloy FSW joints. The results show that the steady-state temperature of 6 N01 aluminum alloy during FSW is about 550 ℃,and the temperature mutates at the beginning and at end of welding. The longitudinal residual stress σ_x is the main stress,which fluctuates in the range of-25 to 242 MPa. Moreover,the stress in the range of shaft shoulder is tensile stress that the maximum tensile stress is 242 MPa,and the stress in the outside of shaft shoulder is compressive stress that the maximum compressive stress is 25 MPa. The distribution of the tensile stress in the welding nugget zone( WNZ) is obviously bimodal,and the residual stress on the advancing side is higher than that on the retreating side. With the increasing of the welding speed,the maximum temperature decreased and the maximum residual stress decreased when the pin-wheel speed kept constant. With the increasing of the pin-wheel speed,the maximum temperature of the joint increased and the maximum residual stress increased when the welding speed was constant. The experimental results were in good agreement with the finite element results.
基金Funded by the Natural Science Foundation of Hebei Province,China(Nos.E2019210251 and B2019210331).
文摘The CdS/spherical g-C3N4 n-n heterojunction photocatalyst was fabricated via a solvothermal method.The tetracycline was used to characterize the photocatalytic properties of the as-developed hybrids.The photocatalytic degradation mechanism of the as-developed heterojunction photocatalyst was also analyzed.Research results show that CdS nanoparticles are well dispersed in the surface layer of spherical g-C3N4.Moreover,the mass ratio of CdS to spherical g-C3N4 will influence the photocatalytic activity of the asdeveloped composites,which shows the trend of first increasing and then decreasing as it increased.When the mass ratio is 7:1,in 25 min,the as-developed heterojunction shows 93.2%of the maximum photocatalytic efficiency and still exhibits 83.6%after 5 times cycle testing.Moreover,the as-developed hybrids can accelerate the electron transport and improve the separation efficiency of photo-generated carriers compared with pure samples.In addition,the holes and superoxide radicals are dominating active species during the photocatalytic degradation process.
基金Funded by the National Nature Science Foundation of China(No.51108282)Natural Science Foundation of Hebei Province of China(No.E2011210025)+1 种基金Excellent Youth Scholars of University Science and Technology Research of Hebei Province(No.Y2011111)Hebei Key Discipline Construction Project
文摘The chemical and physical interactions in the interfacial transition zone (ITZ) between three different types of coarse aggregates (limestone, granite and basalt) and cement paste were investigated. The results show that all the aggregates are chemically active. Significant amounts of Ca2+, K+, and Na+ are absorbed by all the aggregates from the cement solution, granite and basalt also absorb significant amounts of OH- and release significant amounts of Si4+ into cement solution. The XRD, EDXA and pore structure results of the ITZ also show that more clinkers participate in the cement hydration in the ITZ of granite and basalt, and more hydrates are generated, hence resulting in a denser ITZ structure with a lower content of maeropores. Although the limestone has the least activity, the connection between it and cement paste is tight, due to its rough surface and higher water absorption. Whereas the granite with smooth surface and lower water absorption has a loose connection with cement paste, many pores and cracks are visible, which is very detrimental to the concrete durability.
基金supported by the Nature Science Foundations of Hebei Province (B2016210071, B2016210111)the Natural Science Foundation of Hebei Education Department (QN2016057, ZD2015082, ZC2016045)+3 种基金the National College Students’ Innovative Entrepreneurial Training Project of Chinasupported by the Chinese National 973 Program (2015CB251106)the Joint Funds of the National Natural Science Foundation of China (U1564206)Major achievements Transformation Project for Central University in Beijing
文摘For constructing next-generation lithium-ion batteries with advanced performances,pursuit of highcapacity Li-rich cathodes has caused considerable attention.So far,the low discharge specific capacity and serious capacity fading are strangling the development of Fe-based Li-rich materials.To activate the extra-capacity of Fe-based Li-rich cathode materials,a facile molten salt method is exploited using an alkaline mixture of LiOH–LiNO3–Li2O2 in this work.The prepared Li1.09(Fe0.2Ni0.3Mn0.5)0.91O2 material yields high discharge specific capacity and good cycling stability.The discharge specific capacity shows an upward tendency at 0.1 C.After 60 cycles,a high reversible specific capacity of ~250 m Ah g-1is delivered.The redox of Fe3+/Fe4+and Mn3+/Mn4+are gradually activated during cycling.Notably,the redox reaction of Fe2+/Fe3+can be observed reversibly below 2 V,which is quite different from the material prepared by a traditional co-precipitation method.The stable morphology of fine nanoparticles(100–300 nm)is considered benefiting for the distinctive electrochemical performances of Li1.09(Fe0.2Ni0.3Mn0.5)0.91O2.This study demonstrates that molten salt method is an inexpensive and effective approach to activate the extra capacity of Fe-based Li-rich cathode material for high-performance lithium-ion batteries.
基金Funded by Natural Science Foundation of Hebei Province,China(No.E2013210011)
文摘Zn2SnO4/few-layer boron nitride nanosheets (FBNNS) hybrids were synthesized via a one-step hydrothermal method. The structures, morphology, optical properties, electron transformation and separation of the as-prepared products were characterized by X-ray diffraction, transmission electrical microscopy, UV-vis diffuse reflectance spectroscopy and electrochemical impedance spectroscopy, respectively. Rhodamine B was used to evaluate the photocatalytic activities of the as-prepared samples under visible light illumination. The photocatalytic mechanism was also explored. Experimental results showed that the degradation efficiency of rhodamine B was firstly increased and then decreased with increasing the usage amount of FBNNS. When it was 9 wt% based on the weight of Zn2SnO4, the degradation efficiency of the as-prepared Zn2SnO4/FBNNS-9 wt% composites reached to the maximum of 97.5 % in 180 min, which was higher than 39.2 % of pure Zn2SnO4. Moreover, the holes played mainly active roles in photocatalytic reaction process. In addition, the as-prepared hybrids could enhance the separation efficiency of photoexcited carriers compared to pure Zn2SnO4.
基金Funded by the Natural Science Foundation of Hebei Province,China(No.E2019210251)the National Natural Science Foundation of China(No.51778378)
文摘SnO2/AgIO4 hybrids were fabricated by an in-situ synthetic method at room temperature. The structure, morphology, light response range, separation efficiency of the electron-hole pairs and elements of the as-synthesized samples were characterized by adopting X-ray diffraction, scanning electron microscopy, UV-Vis diffuse reflectance spectroscopy, electrochemical impedance spectroscopy and X-ray photoelectron spectroscopy, respectively. The synergistically photocatalytic degradation mechanism of the as-synthesized composites was also proposed. The experimental results reveal that under the visible light irradiation the as-synthesized SnO2/AgIO4 hybrids can enhance the photocatalytic degradation efficiency of rhodamine B compared to pure samples. With increasing the molar ratios of AgIO4 to SnO2, it displays the trend of first increasing and then decreasing. When it is 1:2 in 150 min, the as-prepared hybrids have the highest degradation efficiency of 93.1%, which increases by 6550.0%, 30.5%, and 1505.0% compared to those of pure SnO2, AgIO4, and TiO2(P25), respectively. Moreover, the Sn-O-Ag cross-linking bonds are formed at the interfaces of SnO2 and AgIO4. In addition, superoxide anion radicals and holes play a major role in the process of photodegradation.
基金supported by the Hebei Key Discipline Construction Project
文摘Herein, well-dispersed Palladium(Pd) nanoparticles(NPs) with good catalytic activities were prepared using a wood nanomaterial(WNM) as a reductant and a supporting agent. Various factors that influenced the NP morphologies, including reaction time, temperature, and precursor concentration were studied. The as-prepared Pd NPs/WNM showed good catalytic performance for Suzuki coupling reactions.
基金Funded by National Natural Science Foundation of China(No.51878421)Hebei Key Discipline Construction Project
文摘Three different kinds of coatings were coated on the concrete surface, and the changes in appearance, surface roughness, microstructure and components of coatings in artificial sewage were investigated. In addition, the strength, micrograph, mineral compositions and pore structure of concrete specimens after removing coatings were also studied. The results show that epoxy coal tar pitch coating(ECTPC) has the best effect of protecting concrete from the sewage corrosion. After being immersed in sewage for 90 days, the compressive strength of concrete coated with ECTPC is still as high as that of specimen immersed in water, and the cement paste has a high CH content and dense structure with low porosity, which mainly accounts for its excellent barrier property and certain antibacterial function. Cement-based bactericidal coating(CBC) also has good effectiveness to sewage corrosion of concrete. The strength and microstructure of concrete coated with CBC in sewage are still significantly superior to those of uncoated concrete. Although cement-based capillary crystalline waterproofing coating(CCCWC) is a good waterproof material, it is not suitable for the corrosion resistance of concrete in sewage. After 2 months corrosion, almost all of the CH crystals in coating reacted with the metabolic acid substance by microbes. Therefore, the strength and pore structure of concrete coated with CCCWC are only slightly superior to those of uncoated concrete. Overall, the protective effect of cement-based inorganic coatings is relatively poor.
基金Funded by the National Natural Science Foundation of China(No.51102172)Hebei Natural Science Foundation(No.E2013210038)+1 种基金Colleges and Universities in Hebei Province Science and Technology Research Project(No.YQ2014033)Hebei Key Discipline Construction Project
文摘The energy band-gap and related factors of tantalum pentoxide with hexagonal phase were investigated using hybrid functional B3LYP and sX-LDA methods. The results showed that both sX-LDA and B3LYP techniques reveal the indirect semiconductor nature of δ-Ta2O5, whereas the obtained value of energy band-gap is much higher than previous theoretical reports but closer to the experimental data. The optical band- gap of δ-Ta2O5 is expected to originate from the O 2p→Ta 5d transition which may benefit from the d-s-p hybridization.
基金Funded by the Natural Science Foundation of Hebei Province(Nos.E2019210251 and B2019210331)the Innovation Ability Improv-ement Project of Hebei Province(20543601D)。
文摘The SnO2 quantum dots(SnO2QDs)/ZnS nanosheets(ZnSNs)heterojunction was fabricated via an in-situ synthetic method at room temperature.Rhodamine B,potassium dichromate,and tetracycline were used to discuss the photocatalytic activities of the as-prepared samples under the visible light illumination.The photocatalytic mechanism of the as-prepared samples was also proposed.The experimental results indicate that the degradation efficiency of the as-prepared SnO2QDs/ZnSNs heterojunction first increases and then decreases with increasing the usage of ZnSNs.When the mass ratio of SnO2QDs to ZnSNs is 1:2 in 180 min,the as-prepared samples have the highest degradation efficiency of 89.1%for rhodamine B,97.7%for potassium dichromate,and 83.8%for tetracycline,which are much higher than 51.7%,26.8%,and 0.9%of pure SnO2QDs as well as 37.9%,87.1%,and 19.1%of pure ZnSNs,respectively.After it is repeatedly degraded for 3 times,it possesses the degradation efficiency of 62.5%for rhodamine B,which increases by 200.5%in comparison with 20.8%of the pure SnO2QDs.Moreover,the enhanced photocatalytic performances of the as-prepared hybrids are attributed to the formation of heterojunction between the SnO2QDs and ZnSNs.In addition,hydroxyl radicals and superoxide anion radicals play major roles during the photocatalytic degradation process,while holes play a minor role.
基金Funded by the National Natural Science Foundation of China(No.51502179)the Colleges and Universities in Hebei Province Science and Technology Research Project(No.YQ2014033)the Hebei Key Discipline Construction Project(B2012210004 and E2013210038)
文摘We present the specific ab-initio calculations that detail the variations of perovskite BaZrO3 caused by in-plane strain. Specifically, the internal relaxation, which was not captured in the widely used biaxial strain model, was included in a complementary manner to lattice relaxation. Density functional theory as well as a hybrid functional method based on a plane wave basis set was employed to calculate the lattice structure, elastic constants, electronic properties and optical properties of perovskite BaZrO3. The lattice parameter c exhibited a clear linear dependence on the imposed in-plane strain, but the Poisson's ratio caused by internal relaxation was smaller than the elastic deformation, indicating an "inelastic" or "plastic" relaxation manner caused by the introduction of internal relaxation. As a result, the related electronic and optical properties of perovskite BaZrO3 were also strongly affected by the in-plane strain, which revealed an effective way to adjust the properties of perovskite BaZrO3 via internal relaxation.
基金supported by the National Program on Key Basic Research Project (973Program,No.2011CB933700)the National Natural Science Foundation of China (51172247,51043003,50773086)Hebei Key Discipline Construction Project.
文摘For the first time,we report an environmentally benign process for the preparation of Pt,Au and Pd NPs at ambient atmospheric pressure in aqueous systems,using water-insoluble alkali lignin(AL)and hemicelluloses as reducing/protective agents.Both AL and hemicelluloses showed good performances.The solid AL acted as support for metal NPs.The metal particles reduced by hemicelluloses aggregated to larger particles,and the degree of aggregation increased over time.