铁原子掺入氧化锌可大幅增加其光催化性能从而提高了除污能力.该文通过行星球磨结合高温固溶掺杂的方法制备Zn_(1-x)Fe_(x)O材料.通过紫外分光光度计,X射线粉末衍射实验和键弛豫理论,定量分析了Fe^(3+)掺杂对Zn-O键弛豫动力学及其光催...铁原子掺入氧化锌可大幅增加其光催化性能从而提高了除污能力.该文通过行星球磨结合高温固溶掺杂的方法制备Zn_(1-x)Fe_(x)O材料.通过紫外分光光度计,X射线粉末衍射实验和键弛豫理论,定量分析了Fe^(3+)掺杂对Zn-O键弛豫动力学及其光催化效率的影响.研究表明:当Fe^(3+)掺杂浓度为10%时,1 g Zn_(1-x)Fe_(x)O材料在2.5 h内,光降解亚甲基蓝可达到66%,比纯ZnO高出52%;掺杂浓度在10%以内时,Zn_(1-x)Fe_(x)O材料中Zn-O键的单键能和禁带宽度均随着Fe^(3+)掺杂浓度的增加而减小;定量获取了不同浓度下Zn-O键的配位数、单键能和禁带宽度.为Zn_(1-x)Fe_(x)O材料的制备及其光催化性能的定量研究提供了一种简单、易控且低成本的新方法.展开更多
Although sulfide electrode materials in lithium battery systems have been intensively investigated due to their low-cost, high theoretical specific capacity, and energy density, there are few studies fousing on the ad...Although sulfide electrode materials in lithium battery systems have been intensively investigated due to their low-cost, high theoretical specific capacity, and energy density, there are few studies fousing on the adhesion properties, including the physical origin of hetero-coordination resolved interface relaxation, binding energy and the energetic behavior, and even the accurate quantitative information. In this paper, we present an approach for quantifying the interface adhesion properties of sulfide electrode materials resolved by the combination of bond order-length-strength theory(BOLS) and X-ray photoelectron spectroscopy(XPS), which has enabled clarification of the interface adhesion nature. The results show that the Cu 2p, Fe 2p, and S 2p electrons of Cu S and FeS_(2) compounds shift negatively due to the charge polarization of the conduction electrons of the heteroatoms, while Mo 3d, Sn 3d electrons of Mo S2 and Sn S2 and the C 1 s and S 2p electrons of CS compound shift positively due to the quantum trapping. It is noted that the exact interface adhesion energies of Cu S is 3.42 J m^(-2), which is consistent with the calculation result. The approach can not only clarify the origin of the interface adhesion properties of sulfide electrode materials,but also derive their quantification information from atomistic sites.展开更多
文摘铁原子掺入氧化锌可大幅增加其光催化性能从而提高了除污能力.该文通过行星球磨结合高温固溶掺杂的方法制备Zn_(1-x)Fe_(x)O材料.通过紫外分光光度计,X射线粉末衍射实验和键弛豫理论,定量分析了Fe^(3+)掺杂对Zn-O键弛豫动力学及其光催化效率的影响.研究表明:当Fe^(3+)掺杂浓度为10%时,1 g Zn_(1-x)Fe_(x)O材料在2.5 h内,光降解亚甲基蓝可达到66%,比纯ZnO高出52%;掺杂浓度在10%以内时,Zn_(1-x)Fe_(x)O材料中Zn-O键的单键能和禁带宽度均随着Fe^(3+)掺杂浓度的增加而减小;定量获取了不同浓度下Zn-O键的配位数、单键能和禁带宽度.为Zn_(1-x)Fe_(x)O材料的制备及其光催化性能的定量研究提供了一种简单、易控且低成本的新方法.
基金supported by the National Natural Science Foundation of China (Grant Nos. 11972157 and 11872054)the Natural Science Foundation of Hunan Province (Grant Nos. 2020JJ2026 and 2021JJ30643)。
文摘Although sulfide electrode materials in lithium battery systems have been intensively investigated due to their low-cost, high theoretical specific capacity, and energy density, there are few studies fousing on the adhesion properties, including the physical origin of hetero-coordination resolved interface relaxation, binding energy and the energetic behavior, and even the accurate quantitative information. In this paper, we present an approach for quantifying the interface adhesion properties of sulfide electrode materials resolved by the combination of bond order-length-strength theory(BOLS) and X-ray photoelectron spectroscopy(XPS), which has enabled clarification of the interface adhesion nature. The results show that the Cu 2p, Fe 2p, and S 2p electrons of Cu S and FeS_(2) compounds shift negatively due to the charge polarization of the conduction electrons of the heteroatoms, while Mo 3d, Sn 3d electrons of Mo S2 and Sn S2 and the C 1 s and S 2p electrons of CS compound shift positively due to the quantum trapping. It is noted that the exact interface adhesion energies of Cu S is 3.42 J m^(-2), which is consistent with the calculation result. The approach can not only clarify the origin of the interface adhesion properties of sulfide electrode materials,but also derive their quantification information from atomistic sites.
