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First-principles study of the electronic and optical properties of the (Y, N)-codoped anatase TiO2 photocatalyst
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First-principles plane-wave pseudopotential calculations are performed to study the geometrical structures, formation energies, and electronic and optical properties of Y-doped, N-doped, and (Y, N)-codoped TiO2. The calculated results show that Y and N codoping leads to lattice distortion, easier separation of photogenerated electron-hole pairs and band gap narrowing. The optical absorption spectra indicate that an obvious red-shift occurs upon Y and N codoping, which enhances visible-light photocatalytic activity. 相似文献
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First-principles study of the electronic and optical properties of the (Y,N)-codoped anatase TiO2 photocatalyst
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First-principles plane-wave pseudopotential calculations are performed to study the geometrical structures,formation energies,and electronic and optical properties of Y-doped,N-doped,and(Y,N)-codoped TiO 2.The calculated results show that Y and N codoping leads to lattice distortion,easier separation of photogenerated electron-hole pairs and band gap narrowing.The optical absorption spectra indicate that an obvious red-shift occurs upon Y and N codoping,which enhances visible-light photocatalytic activity. 相似文献
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提出使用面源进行效率转移法刻度133 Xe气体体源的探测效率。使用133 Ba面源模拟刻度放射性133 Xe气体体源的探测效率,在刻度的过程中利用137 Cs与133Ba的峰效率比值及133 Ba面源远端无符合相加效应,137 Cs能峰远近都无符合相加效应等,结合软件模拟建立远近距离峰效率比值的关系,来解决133 Ba的符合相加效应。最后,使用面源效率转移法进行气体体源效率刻度,转移法刻度结果和面源模拟法刻度计算值的偏差在±1%以内。 相似文献
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利用中国原子能科学研究院核工业放射性计量测试中心的5SDH-2串列加速器进行了ST-401薄塑料闪烁体的能量响应实验.选用T(p,n)3He反应和D(d,n)3He反应作为中子源,子源,中子束流采用复合屏蔽体进行准直,源强采用正比计数管和半导体望远镜进行监测,实验测量了厚度从0.16mm到2.00mm的八种规格薄闪烁体的能量响应曲线,对实验的结果的不确定度进行了分析.结果表明探测器的灵敏度随着晶体厚度的增加而增加,对于一定厚度的薄闪烁体,随着中子能量的增加,探测器的能量响应曲线坡度不大.
关键词:
塑料闪烁体
能量响应
正比计数器
半导体反冲质子望远镜 相似文献
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在有些数学题目中,常有某些一般交待性的条件不为同学们所重视,如"任意一点"或点在某线上"滑动",若能从中挖掘出题目隐藏的含意,就可以迅速简捷地解决问题,下面通过几个例子加以说明. 相似文献
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The structural, elastic, phonon and electronic properties of a MnPd alloy have been investigated using the first-principles calculation. The calculated lattice constants and electronic structure agree well with the experimental results. The microscopic mechanism of the diffusionless martensitic transition from the paramagnetic B2 (PM-B2) phase to the antiferromagnetic L10 (AFM-L10) phase through the intermediate paramagnetic L10 (PM-L10 ) phase has been explored theoretically. The obtained negative shear modulus C′= (C11-C12)/2 of the PM-B2 phase is closely related to the instability of the cubic B2 phase with respect to the tetragonal distortions. The calculated phonon dispersions for the PM-L10 and AFM-L10 phases indicate that they are dynamically stable. However, the AFM-L10 phase is energetically most favorable according to the calculated total energy order, so the PM-L10 →AFM-L10 transition is caused by the magnetism rather than the electron-phonon interaction. Additionally, the AFM-L10 state is stabilized through the formation of a pseudo gap located at the Fermi level. The calculated results show that the CuAu-I type structure in the collinear antiferromagnetic state is dynamically and mechanically stable, thus is the low temperature phase. 相似文献
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