The electronic structure of Eu-doped NaTaO3 in Na-rich environment is investigated by the first-principles theory. By simulating the two different models of Eu3＋ ions selectively located in Ta and Na sites, respectiv...The electronic structure of Eu-doped NaTaO3 in Na-rich environment is investigated by the first-principles theory. By simulating the two different models of Eu3＋ ions selectively located in Ta and Na sites, respectively, the band gaps of two Eu-doped NaTaO3 models were all narrowed, which were assigned to lattice defects and impurity band of the Eu dopent. For the model of Eu3＋ ions located in the Na＋ sites of NaTaO3, the new impurity band mainly composited of Eu 4f orbital appeared at the top over the valence band, indicating the enhanced oxidative ability. For the model of Eu3＋ ions located in the Ta5＋ sites of NaTaO3, a midgap state generated was located at the bottom of conduct band and the band potential shifted up, confirming the strong reductive ability in the Na-rich enviornment. The densities of electron states were significantly increased in both the conduction and valence bands in Na-rich model, which resulted in the increased carrier migration rate and thus photocatalytic activity enhancement. It is proposed that Eu3＋ ions doping at the Ta sites could enhance the reduced photocatalytic performance via controlling the nonstoichiometric Na/Ta molar ratio in the Eu-doped NaTaO3 system.展开更多
The Li-rich Zn-doped LiNbO 3 (LN) crystals were grown by the Czochralski method. The structure of the crystals was measured by ultraviolet-visible absorption spectra. The results indicated that the Li-rich Zn-doped LN...The Li-rich Zn-doped LiNbO 3 (LN) crystals were grown by the Czochralski method. The structure of the crystals was measured by ultraviolet-visible absorption spectra. The results indicated that the Li-rich Zn-doped LN crystals had the same characteristics as the pure LN crystal. After Zn 2+ entered into the lattice of Li-rich Zn-doped LN crystal, it replaced Nb Li firstly. When there was no Nb Li , Zn 2+ replaced Li + then. The second harmonic generation (SHG) property of Li-rich Zn-doped LiNbO 3 crystal was measured. The results showed that the SHG conversation efficiency of Li-rich Zn-doped LiNbO 3 crystals was higher than that of Zn-doped LiNbO 3 crystals.展开更多
为促进风电消纳,减少火电机组的碳排放,解决综合能源系统(Integrated Energy System,IES)低碳经济运行问题,文中引入变掺氧富氧燃烧技术对燃气机组进行改造,并结合利用液化天然气(Liquefied Natural Gas,LNG)冷能的液化空气储能(Liquid ...为促进风电消纳,减少火电机组的碳排放,解决综合能源系统(Integrated Energy System,IES)低碳经济运行问题,文中引入变掺氧富氧燃烧技术对燃气机组进行改造,并结合利用液化天然气(Liquefied Natural Gas,LNG)冷能的液化空气储能(Liquid Air Energy Storage,LAES),提出了一种电热气冷IES低碳经济优化策略。首先,构建含变掺氧富氧燃烧燃气机组、利用LNG冷能的LAES、电转气(Power To Gas,P2G)设备、中央空调和溴化锂制冷机的IES架构,并建立各设备的数学模型;其次,引入阶梯式碳交易机制,建立了以系统运行成本最小为目标的电热气冷IES低碳经济调度模型;最后,采用MATLAB调用GUROBI求解器对多个场景进行求解,验证了文中提出的低碳经济优化调度策略可以提高系统的风电消纳、有效降低系统运行成本,实现碳减排。展开更多
质子交换膜燃料电池(PEMFCs)将化学燃料转化为电能,具有能量转换效率高、清洁、零排放等特点,被认为是未来重要的能源利用装置.与阳极发生的氢氧化反应相比,阴极发生的氧还原反应(ORR)是动力学缓慢的过程,严重阻碍了燃料电池的广泛应用...质子交换膜燃料电池(PEMFCs)将化学燃料转化为电能,具有能量转换效率高、清洁、零排放等特点,被认为是未来重要的能源利用装置.与阳极发生的氢氧化反应相比,阴极发生的氧还原反应(ORR)是动力学缓慢的过程,严重阻碍了燃料电池的广泛应用,因此迫切需要开发高活性的电催化剂来降低其电化学过电位,提高反应动力学.铂基纳米晶是氧还原反应有效的电催化剂,但存在成本高、储量少且耐用性差等问题.将铂(Pt)与过渡金属(Fe,Co,Ni等)合金化可以提升催化活性,且最外层有序的Pt原子层可以有效地避免过渡金属的腐蚀溶解,同时,利用金(Au)与Pt基合金形成核壳结构可以有效地降低催化剂成本,同时增强稳定性.然而,在以Au作为核时,很难通过退火处理获得富含Pt层的核壳催化剂.本文利用钛(Ti)原子与Au原子合金化后的协同作用,成功地制备了核壳AuTi@PtNi氧还原催化剂.由于Ti与Au的强相互作用,使得该催化剂即使经高温退火处理,依旧可以使Au保持在内部,同时可以获得富Pt壳层.利用配备有电子能量损失谱的透射电子显微镜及X射线电子能谱对催化剂进行表征,结果表明,Ti的引入可大大提升催化剂的热稳定性.由于具有核壳结构及富Pt的PtNi壳层,退火后的AuTi@PtNi-400催化剂在0.9 V(RHE)时的质量比活性(5.26 A mgPt^(‒1))和面积比活性(2.72 mA cm^(‒2))分别是商业化Pt/C催化剂的19.26倍和9.84倍.另外,AuTi@PtNi-400催化剂在20000圈循环测试后质量活性衰减不到10%,稳定性好于商业化Pt/C催化剂和未经过退火的AuTi@PtNi催化剂.进一步对AuTi@PtNi-400进行电催化测试,结果表明,在功率密度达到0.61 W cm^(‒2)的同时可产生1.31 A cm^(‒2)的电流密度,该结果优于商业化Pt(1.05 A cm^(‒2)和0.34 W cm^(‒2))以及Ti-Au@PtNi/C(1.25 A cm^(‒2)和0.62 W cm^(‒2)),峰值功率密度高达0.80 W cm^(‒2),这表明所制备的Ti-Au@PtNi/C-400催化剂不仅在三电极体系中具有较好的性能,在电堆测试中也展现出高性能,可以较大地满足和促进燃料电池的发展和应用.综上所述,对于燃料电池阴极催化剂,可结合形貌工程及协调作用,制备出低成本高性能的ORR催化剂,为燃料电池的进一步应用提供新思路.展开更多
Antibacterial Ag-agents are intensively applied as broad spectrum, high-stability, high-efficiency and high-safety inorganic antibacterial agents. We have developed a new kind of antibacterial Ag-agent, namely Ag_2-x(...Antibacterial Ag-agents are intensively applied as broad spectrum, high-stability, high-efficiency and high-safety inorganic antibacterial agents. We have developed a new kind of antibacterial Ag-agent, namely Ag_2-x(NH_4)xMo_3O_(10) ·3H_2O nanowires(NWs). Carrying Ag atoms in the lattice and Ag-rich nanoparticles on the surface, the Ag-doped NWs show strong antibacterial effects for a variety of bacteria including E.coli, Staphylococcus aureus, Candida albicans and Aspergil lus niger. By performing systematic comparison experiments, we have proven that the main antibacterial effects are neither resulted from the tiny amount of Ag+ions released from the Ag-doped NWs in aqueous solutions, nor resulted from Ag-rich nanoparticles of fragments of the NWs when they are slowly dissolved in the Martin broth. Instead, the effects are mainly resulted from a contact mechanism, under which, the Ag-doped NWs need to be physically in contact with the bacteria to be eliminated. This is a novel phenomenon observed in the interactions between nanomaterials and live cells, which is worthy of further investigation at the molecular scale. As the Ag-doped NWs are not dissolved in pure water or weak acids, one may find practical antibacterial applications in textile industry and food storage industry for these unique nanomaterials.展开更多
Tb0.3Dy0.7HoxFe1.95（x=0.00, 0.05, 0.10, 0.15, 0.20, 0.35, 0.50, 0.65） quaternary alloys were prepared by arc-melting and followed by annealing.The phases present and structure of the alloys were determined using a D...Tb0.3Dy0.7HoxFe1.95（x=0.00, 0.05, 0.10, 0.15, 0.20, 0.35, 0.50, 0.65） quaternary alloys were prepared by arc-melting and followed by annealing.The phases present and structure of the alloys were determined using a D8-Advance X-ray diffractometer.The magnetostriction of the alloys was studied by standard strain gauge technique.The dependence of Ho content on the structure, magnetostriction and density of the alloys was investigated in detail.The research results showed that Ho-doping did not change MgCu2-type cubic Laves structure in Tb0.3Dy0.7Fe1.95.When Ho content x≤0.2, rich rare earth phase presented in the alloys increased and magnetostriction of the alloys reduced evidently with increasing x, but for alloys with x〉0.2, the content of rich rare earth phase started to reduce and the magnetostriction increased quickly, especially at low magnetic field in the alloy with x=0.65 due to separation of rich rare earth phases on the surface of the alloy.展开更多
基金Financially supported by the National Natural Science Foundation of China(No.21267014 and 21567017)
文摘The electronic structure of Eu-doped NaTaO3 in Na-rich environment is investigated by the first-principles theory. By simulating the two different models of Eu3＋ ions selectively located in Ta and Na sites, respectively, the band gaps of two Eu-doped NaTaO3 models were all narrowed, which were assigned to lattice defects and impurity band of the Eu dopent. For the model of Eu3＋ ions located in the Na＋ sites of NaTaO3, the new impurity band mainly composited of Eu 4f orbital appeared at the top over the valence band, indicating the enhanced oxidative ability. For the model of Eu3＋ ions located in the Ta5＋ sites of NaTaO3, a midgap state generated was located at the bottom of conduct band and the band potential shifted up, confirming the strong reductive ability in the Na-rich enviornment. The densities of electron states were significantly increased in both the conduction and valence bands in Na-rich model, which resulted in the increased carrier migration rate and thus photocatalytic activity enhancement. It is proposed that Eu3＋ ions doping at the Ta sites could enhance the reduced photocatalytic performance via controlling the nonstoichiometric Na/Ta molar ratio in the Eu-doped NaTaO3 system.
文摘The Li-rich Zn-doped LiNbO 3 (LN) crystals were grown by the Czochralski method. The structure of the crystals was measured by ultraviolet-visible absorption spectra. The results indicated that the Li-rich Zn-doped LN crystals had the same characteristics as the pure LN crystal. After Zn 2+ entered into the lattice of Li-rich Zn-doped LN crystal, it replaced Nb Li firstly. When there was no Nb Li , Zn 2+ replaced Li + then. The second harmonic generation (SHG) property of Li-rich Zn-doped LiNbO 3 crystal was measured. The results showed that the SHG conversation efficiency of Li-rich Zn-doped LiNbO 3 crystals was higher than that of Zn-doped LiNbO 3 crystals.
文摘为促进风电消纳,减少火电机组的碳排放,解决综合能源系统(Integrated Energy System,IES)低碳经济运行问题,文中引入变掺氧富氧燃烧技术对燃气机组进行改造,并结合利用液化天然气(Liquefied Natural Gas,LNG)冷能的液化空气储能(Liquid Air Energy Storage,LAES),提出了一种电热气冷IES低碳经济优化策略。首先,构建含变掺氧富氧燃烧燃气机组、利用LNG冷能的LAES、电转气(Power To Gas,P2G)设备、中央空调和溴化锂制冷机的IES架构,并建立各设备的数学模型;其次,引入阶梯式碳交易机制,建立了以系统运行成本最小为目标的电热气冷IES低碳经济调度模型;最后,采用MATLAB调用GUROBI求解器对多个场景进行求解,验证了文中提出的低碳经济优化调度策略可以提高系统的风电消纳、有效降低系统运行成本,实现碳减排。
文摘质子交换膜燃料电池(PEMFCs)将化学燃料转化为电能,具有能量转换效率高、清洁、零排放等特点,被认为是未来重要的能源利用装置.与阳极发生的氢氧化反应相比,阴极发生的氧还原反应(ORR)是动力学缓慢的过程,严重阻碍了燃料电池的广泛应用,因此迫切需要开发高活性的电催化剂来降低其电化学过电位,提高反应动力学.铂基纳米晶是氧还原反应有效的电催化剂,但存在成本高、储量少且耐用性差等问题.将铂(Pt)与过渡金属(Fe,Co,Ni等)合金化可以提升催化活性,且最外层有序的Pt原子层可以有效地避免过渡金属的腐蚀溶解,同时,利用金(Au)与Pt基合金形成核壳结构可以有效地降低催化剂成本,同时增强稳定性.然而,在以Au作为核时,很难通过退火处理获得富含Pt层的核壳催化剂.本文利用钛(Ti)原子与Au原子合金化后的协同作用,成功地制备了核壳AuTi@PtNi氧还原催化剂.由于Ti与Au的强相互作用,使得该催化剂即使经高温退火处理,依旧可以使Au保持在内部,同时可以获得富Pt壳层.利用配备有电子能量损失谱的透射电子显微镜及X射线电子能谱对催化剂进行表征,结果表明,Ti的引入可大大提升催化剂的热稳定性.由于具有核壳结构及富Pt的PtNi壳层,退火后的AuTi@PtNi-400催化剂在0.9 V(RHE)时的质量比活性(5.26 A mgPt^(‒1))和面积比活性(2.72 mA cm^(‒2))分别是商业化Pt/C催化剂的19.26倍和9.84倍.另外,AuTi@PtNi-400催化剂在20000圈循环测试后质量活性衰减不到10%,稳定性好于商业化Pt/C催化剂和未经过退火的AuTi@PtNi催化剂.进一步对AuTi@PtNi-400进行电催化测试,结果表明,在功率密度达到0.61 W cm^(‒2)的同时可产生1.31 A cm^(‒2)的电流密度,该结果优于商业化Pt(1.05 A cm^(‒2)和0.34 W cm^(‒2))以及Ti-Au@PtNi/C(1.25 A cm^(‒2)和0.62 W cm^(‒2)),峰值功率密度高达0.80 W cm^(‒2),这表明所制备的Ti-Au@PtNi/C-400催化剂不仅在三电极体系中具有较好的性能,在电堆测试中也展现出高性能,可以较大地满足和促进燃料电池的发展和应用.综上所述,对于燃料电池阴极催化剂,可结合形貌工程及协调作用,制备出低成本高性能的ORR催化剂,为燃料电池的进一步应用提供新思路.
基金the NSF of China(Grant No.11074010)the MOST of China(Grant No.2011DFA51450)for financial support
文摘Antibacterial Ag-agents are intensively applied as broad spectrum, high-stability, high-efficiency and high-safety inorganic antibacterial agents. We have developed a new kind of antibacterial Ag-agent, namely Ag_2-x(NH_4)xMo_3O_(10) ·3H_2O nanowires(NWs). Carrying Ag atoms in the lattice and Ag-rich nanoparticles on the surface, the Ag-doped NWs show strong antibacterial effects for a variety of bacteria including E.coli, Staphylococcus aureus, Candida albicans and Aspergil lus niger. By performing systematic comparison experiments, we have proven that the main antibacterial effects are neither resulted from the tiny amount of Ag+ions released from the Ag-doped NWs in aqueous solutions, nor resulted from Ag-rich nanoparticles of fragments of the NWs when they are slowly dissolved in the Martin broth. Instead, the effects are mainly resulted from a contact mechanism, under which, the Ag-doped NWs need to be physically in contact with the bacteria to be eliminated. This is a novel phenomenon observed in the interactions between nanomaterials and live cells, which is worthy of further investigation at the molecular scale. As the Ag-doped NWs are not dissolved in pure water or weak acids, one may find practical antibacterial applications in textile industry and food storage industry for these unique nanomaterials.
基金supported by the National Natural Science Foundation of China(50661002)Guangxi Provincial Natural Science Foundation of China (0575095)
文摘Tb0.3Dy0.7HoxFe1.95（x=0.00, 0.05, 0.10, 0.15, 0.20, 0.35, 0.50, 0.65） quaternary alloys were prepared by arc-melting and followed by annealing.The phases present and structure of the alloys were determined using a D8-Advance X-ray diffractometer.The magnetostriction of the alloys was studied by standard strain gauge technique.The dependence of Ho content on the structure, magnetostriction and density of the alloys was investigated in detail.The research results showed that Ho-doping did not change MgCu2-type cubic Laves structure in Tb0.3Dy0.7Fe1.95.When Ho content x≤0.2, rich rare earth phase presented in the alloys increased and magnetostriction of the alloys reduced evidently with increasing x, but for alloys with x〉0.2, the content of rich rare earth phase started to reduce and the magnetostriction increased quickly, especially at low magnetic field in the alloy with x=0.65 due to separation of rich rare earth phases on the surface of the alloy.
