不同热化学还原LiNbO_3：Ti或Mn晶体杂质电荷态和点缺陷

采用光学吸收和电子顺磁共振（ＥＳＲ）技术表征不同热化学还原ＬＩＮｂＯ３：Ｔｉ，Ｍｌｉ（ＬＮ：Ｔｉ，Ｍｎ）和纯的Ｌｉ／Ｎｂ＝０．９４５一致熔化ＬｉＮｂＯ３（ＬＮ）晶体的热力学还原习性．将ＬＮ：Ｔｉ（厚度为１ｍｍ）样品放在Ｌｉ２ＣＯ３中、６００℃、保温７ｈ，产生６９０ｕｒｎ（～１．８ｅＶ，Ｔ＝６７％）和峰值靠近７８５ｎｍ（Ｔ＝７１％）的７７０￣８１０ｎｍ光学吸收带，它们分别对应于Ｔｉ（３＋）的２Ｔ→２Ｅ跃迁以及室温稳定Ｆ＋心滞有一个电子的氧空位）．经真空１．２Ｐａ，８００℃２ｈ还原后，存在峰值为６７５ｎｍ（Ｔ＝５２％）的４８０～７８０ｎｍ平滑吸收带，它们是Ｔｉ（３＋）、Ｆ心和Ｆ＋心重叠吸收，但是，在Ａｒ气氛下、９００℃、８ｈ处理后，仅能看到峰值在６７５ｎｍ（Ｔ＝５２％）的６００～７８０ｎｍＴｉ（３＋）的弱吸收．来自未处理ＬＮ：Ｔｉ晶体的室温和Ｘ带的ＥＳＲ＄观察到ｇ＝４．３４８，共振磁场０．１５２ＴＨ（ｐ－ｐ）＝０．０１６３Ｔ微波吸收峰，以及四组精细结构Ｂ线（每一ｆｓ线是由６条超精细结构ｈｆｓ组成），ｇ值从３．４６０～１．６７９吸收，它们分别归为于晶体杂质Ｆｅ（３＋）和Ｍｎ（２＋）离子．真空还原后，Ｆｅ（３＋）的?

ZrO_2-Y_2O_3∶Co或Ce晶体热处理前后的杂质电荷态和禁带迁移

空气中生长(YSZ)ZrO_2-Y_2O_3(88∶12mol%)∶0.3wt%CoO 晶体的透射光谱呈现二个部分:<500nm 短波部分强的非结构吸收归为 Co^(3+)+O^(2-)→Co^(2+)+O^-电荷转移;以及六配位 Co^(2+)离子特征吸收,~4T_1(F)→~4T_1(P)560nm 和~4T_1(F)→~4A_2(F)605nm.该晶体经木炭包裹下加热到900℃后,除了禁带从3.97ev 变为4.43eV 外,短波部分和500～800nm(特别是500～605nm)范围吸收降低,然而,整个谱形尚无变化.未处理晶体包含 Co^(3+)和 Co^(2+),特殊热处理使 Co^(3+)转化为 Co^(2+),晶体由紫色变为蓝色.原来吸收边(3.97eV)是氧的 p 价带的电子到 Co^(2+)+F^+激发态造成的,4.43eV 新的吸收边认为是直接光学还原 Zr^(4+)→Zr^(3+)以及部分未还原 Co^(2+)离子共同作用.YSZ∶0.3wt%CeO_2晶体经真空、1300℃、6h 还原后,连结 Ce^(3+)离子基态~4F_(5/2)(4f)到5d 态跃迁的380～600nm(峰值在460nm)宽带吸收增加,晶体颜色由浅黄色变为桔黄.它的禁带由4.00eV 变为4.43eV.为了证实 YSZ∶Ce 晶体缺陷结构的存在和杂质离子价态,测量了这个晶体热处理前后的电子顺磁共振(ESR).由单电荷(Y_(Zr)V_0)′自由自旋和 Fe^(3+)离子的 ESR 信号变化,反推铈杂质在 YSZ 晶体中的价态变化.

等效电荷变换法及其在量子环研究中的应用

利用等效电荷变换法,把三维空间中的杂质电荷对位于X-Y平面上量子环的影响,用一个在X-Y平面上(或X轴上)的虚拟等效电荷取代,从而使计算简化,对结果的分析更加清晰,物理图像更加明确.

使用Y函数方法提取MoS2 FET双向扫描电学参数

利用机械剥离法制备了多层背栅MoS_2场效应晶体管（FET）,通过双向栅压扫描提取了器件的转移特性曲线,并利用Y函数方法提取了器件的电学参数。结果表明,利用Y函数法提取的载流子迁移率值明显大于利用跨导法提取的载流子迁移率值。这两种提取方法的不同之处在于Y函数方法考虑了寄生电阻的影响,而跨导法则将其忽略了,这说明寄生电阻带来的影响是显著的。此外,该器件在双向扫描过程中出现了明显的回滞特性,这主要是MoS_2材料吸附外界杂质电荷造成的。无论采用跨导法还是Y函数方法,其正向扫描和反向扫描时对应的电学参数都不完全一致。这表明在分析MoS_2 FET的电学性能时,除了考虑器件的寄生电阻外,还需要考虑界面电荷的影响。

Construction of Ag_3PO_4/Ag_2MoO_4 Z-scheme heterogeneous photocatalyst for the remediation of organic pollutants

Hole/electron separation and charge transfer are the key processes for enhancing the visible-light photocatalysis performance of heterogeneous photocatalytic systems.To better utilize and understand these effects,binary Ag3PO4/Ag2MoO4 hybrid materials were fabricated by a facile solution-phase reaction and characterized systematically by X-ray diffraction（XRD）,energy-dispersive spectroscopy,Fourier transform infrared spectroscopy,Raman spectroscopy,field-emission scanning electron microscopy and ultraviolet-visible diffuse-reflectance spectroscopy.Under visible-light illumination,a heterogeneous Ag3PO4/Ag/Ag2MoO4 photocatalyst was constructed and demonstrated enhanced photocatalytic activity and photostability compared with pristine Ag3PO4toward the remediation of the organic dye rhodamine B.The Ag3PO4/Ag2MoO4 hybrid catalyst with8%mole fraction of Ag2MoO4 exhibited the highest photocatalytic activity toward the removal of typical dye molecules,including methyl orange,methylene blue and phenol aqueous solution.Moreover,the mechanism of the photocatalytic enhancement was investigated via hole- and radical-trapping experiments,photocurrent measurements,electrochemical impedance spectroscopy and XRD measurements.The XRD analysis revealed that metallic Ag nanoparticles formed initially on the surface of the Ag3PO4/Ag2MoO4 composites under visible-light illumination,leading to the generation of a Ag3PO4/Ag/Ag2MoO4 Z-scheme tandem photocatalytic system.The enhanced photocatalytic activity and stability were attributed to the formation of the Ag3PO4/Ag/Ag2MoO4Z-scheme heterojunction and surface plasmon resonance of photo-reduced Ag nanoparticles on the surface.Finally,a plasmonic Z-scheme photocatalytic mechanism was proposed.This work may provide new insights into the design and preparation of advanced visible-light photocatalytic materials and facilitate their practical application in environmental issues.

H_2^+-Like Impurities Confined by Spherical Quantum Dots:a Candidate for Charge Qubits

We have calculated the electron energy of the ground and lower excited states for H_2^+-like impurity statesconfined in finite spherical quantum dots in GaAs.Based on the characteristics of energy levels,we have proposed ascheme for realizing charge qubit composed by the the ground and the first excited states of this confined double donorsystem for the first time.In the proposed scheme the charge qubit is coded in terms of the located electronic states.

Binding Energy of an Off-Center D^-in a Spherical Quantum Dot

Using the method of matrix diagonalization, we investigate an off-center D^- in a spherical quantum dot （QD） subjected to a parabolic potential confinement. We discuss the effect of the position of an impurity in the QD on the binding energy of the D system, Eurthermore, we compare a negatively charged donor D^- with a neutral donor DO confined by a spherical QD with a parabolic potentiM. The results have clearly demonstrate the so-called quantum size effect. The binding energy is dependent on the confining potential hw0 and the impurity ion distance D.

The effect of boron on the electronic structure of dislocation in NiAl

The segregation effect of B on the [100]（010） edge dislocation core in NiA1 single crystals is investigated using the DMol method and the discrete variational method within the framework of density functional theory. The impurity segregation en- ergy and the charge distribution are calculated. The effects of B on the dislocation motion are discussed. The results show that B prefers to segregate at the Center-Al dislocation core. Moreover, B forms strong bonding states with its neighboring host atoms, which may not be beneficial to the motion of the dislocation. Therefore, it can be expected that the strength of NiAl single crystals may be increased.

Boosted charge transfer and photocatalytic CO_(2) reduction over sulfurdoped C_(3)N_(4) porous nanosheets with embedded SnS_(2)-SnO_(2) nanojunctions

Two-dimensional porous nanosheet heterostructure materials,which combine the advantages of both architecture and components,are expected to feature a significant photocatalytic performance toward CO_(2) conversion into useful fuels.Herein,we provide a facile strategy for fabricating sulfur-doped C_(3)N_(4) porous nanosheets with embedded SnO_(2)-SnS_(2) nanojunctions(S-C_(3)N_(4)/SnO_(2)-SnS_(2))via liquid impregnation-pyrolysis and subsequent sulfidation treatment using a layered supramolecular structure as the precursor of C_(3)N_(4).A hexagonal layered supramolecular structure was first prepared as the precursor of C_(3)N_(4).Then Sn^(4+) ions were intercalated into the supramolecular interlayers through the liquid impregnation method.The subsequent annealing treatment in air simultaneously realized the fabrication and efficient exfoliation of layered C_(3)N_(4) porous nanosheets.Moreover,SnO_(2) nanoparticles were formed and embedded in situ in the porous C_(3)N_(4) nanosheets.In the following sulfidation process under a nitrogen atmosphere,sulfur powder can react with SnO_(2) nanoparticles to form SnO_(2)-SnS_(2) nanojunctions.As expected,the exfoliation of sulfur-doped C_(3)N_(4) porous nanosheets and ternary heterostructure construction could be simultaneously achieved in this work.Sulfur-doped C_(3)N_(4) porous nanosheets with embedded SnO_(2)-SnS_(2) nanojunctions featured abundant active sites,enhanced visible light absorption,and efficient interfacial charge transfer.As expected,the optimized S-C_(3)N_(4)/SnO_(2)-SnS_(2) achieved a much higher gas-phase photocatalytic CO_(2) reduction performance with high yields of CO(21.68μmol g^(−1)h^(−1))and CH_(4)(22.09μmol g^(−1)h^(−1))compared with the control C_(3)N_(4),C_(3)N_(4)/SnO_(2),and S-C_(3)N_(4)/SnS_(2) photocatalysts.The selectivity of CH_(4) reached 80.30%.Such a promising synthetic strategy can be expected to inspire the design of other robust C_(3)N_(4)-based porous nanosheet heterostructures for a broad range of applications.