Tuning band alignment and optical properties of 2D van der Waals heterostructure via ferroelectric polarization switching

Favourable band alignment and excellent visible light response are vital for photochemical water splitting. In this work, we have theoretically investigated how ferroelectric polarization and its reversibility in direction can be utilized to modulate the band alignment and optical absorption properties. For this objective, 2D van der Waals heterostructures (HTSs) are constructed by interfacing monolayer MoS₂ with ferroelectric In2Se3. We find the switch of polarization direction has dramatically changed the band alignment, thus facilitating different type of reactions. In In₂Se₃/MoS₂/In₂Se₃ heterostructures, one polarization direction supports hydrogen evolution reaction and another polarization direction can favour oxygen evolution reaction. These can be used to create tuneable photocatalyst materials where water reduction reactions can be selectively controlled by polarization switching. The modulation of band alignment is attributed to the shift of reaction potential caused by spontaneous polarization. Additionally, the formed type-II van der Waals HTSs also significantly improve charge separation and enhance the optical absorption in the visible and infrared regions. Our results pave a way in the design of van der Waals HTSs for water splitting using ferroelectric materials.     

梯度掺杂对n型异质结太阳能电池性能的影响

通过仿真软件AFORS-HET对a-Si:H(p)/i-a-Si:H/c-Si(n)异质结太阳能电池的光伏特性进行分析及优化,主要对比了a-Si:H(p)层的均匀掺杂和表面掺杂浓度D₁=1×10²⁰ cm^-3>界面掺杂浓度D₂=4×10¹⁹ cm^-3的梯度掺杂情况时的光伏特性,实现了在梯度掺杂时22.32%的光电转换效率。与均匀梯度掺杂相比,发射层的梯度掺杂除了引入一个附加电场,还优化了能带结构、光谱响应、表面复合速率。结果表明,梯度掺杂可以有效地改善电池的光电转换性能。     

High-performance self-powered photodetector based on organic/inorganic hybrid van der Waals heterojunction of rubrene/silicon

Organic/inorganic hybrid van der Waals heterostructure with an atomically abrupt interface has attracted great research interests within the field of multifunctional electronic and optoelectronic devices. The integration of organic rubrene films with inorganic Si semiconductors can avoid the atomic mutual-diffusion at the interface, and provide the possibility of forming two-dimensional van der Waals heterojunction accompanied with the type-II energy band alignment, due to the transfer behaviors of majority carriers at the interface. In this study, the high-quality rubrene/Si van der Waals heterostructure with an electronically abrupt junction was prepared, and a self-powered photodetector was then constructed based on this hybrid heterojunction. The photodetector demonstrated an excellent switching response to the 1064 nm monochromatic light with large on/off current ratio of 7.0×10~3, the maximum photocurrent of 14.62 m A, the maximum responsivity of 2.07 A/W, the maximum detectivity of 2.9×10~(11) Jones, and a fast response time of 13.0 μs. This study offers important guidance for preparing high-quality rubrene/Si hybrid van der Waals heterostructure with desirable band alignment, and the designed heterojunction photodetector has an important application prospect in the field of multifunctional optoelectronics.     

In2O3:H03+,Yb3+纳米晶的制备与上转换发光

以乙二醇为溶剂,采用低温溶剂热法制备了H03+/Yb3+共掺杂In2O3纳米晶.利用X射线晶体衍射 (XRD)、透射电子显微镜(TEM)对粒子的结构和形貌进行表征,结果表明,合成的样品为纯的立方相In2O3,颗粒尺寸约为30nm.通过上转换发光(UCL)光谱研究了粒子的上转换发光性质,在980nm半导体激光激 发下...     

Performance of dual-band short-or mid-wavelength infrared photodetectors based on InGaAsSb bulk materials and InAs/GaSb superlattices

In this paper,we demonstrate bias-selectable dual-band short-or mid-wavelength infrared photodetectors based on In_(0.24)Ga_(0.76)As_(0.21)Sb_(0.79)bulk materials and InAs/GaSb type-II superlattices with cutoff wavelengths of 2.2μm and 3.6μm,respectively.At 200 K,the short-wave channel exhibits a peak quantum efficiency of 42%and a dark current density of5.93×10~(-5)A/cm~2at 500 mV,thereby providing a detectivity of 1.55×10~(11)cm·Hz~(1/2)/W.The mid-wave channel exhibits a peak quantum efficiency of 31%and a dark current density of 1.22×10~(-3)A/cm~2at-300 mV,thereby resulting in a detectivity of 2.71×10~(10)cm·Hz~(1/2)/W.Moreover,we discuss the band alignment and spectral cross-talk of the dual-band n-i-p-p-i-n structure.     

Er3+在KPb2Br5晶体中的选择替位对上转换发光光谱的影响

通过高温固相法制备了不同Er³⁺掺杂浓度的KPb₂Br₅多晶粉末样品. 由980 nm半导体激光器激发下得到的上转换发射光谱显示, 当掺杂浓度为2.5 mol%时, 样品主要表现为530 nm 和550 nm上转换发射, 分别对应激发态²H_11/2和⁴S_3/2向基态⁴I_15/2的跃迁; 掺杂浓度增加到5 mol%时样品以490 nm上转换发射为主, 对应由激发态⁴F_7/2向⁴I_15/2的跃迁; 当掺杂浓度达到7.5 mol%时, 样品的上转换发射强度相比低浓度时大幅度下降, 主要以激发态⁴F_9/2 向基态⁴I_15/2跃迁的690 nm处发光为主. 利用第一性原理结合Judd-Ofelt理论讨论认为, Er³⁺ 离子优先替代Pb (1) 的位置, 随着浓度的提高, 部分Er³⁺ 离子会替代Pb (2) 格位上的离子, 不同晶格位置的Er³⁺ 离子所处的晶体场的对称性有所不同, 从而影响了发光中心不同能级的跃迁概率, 体现在上转换发光光谱的差异上. 蓝、绿区域的上转换发光在高浓度掺杂下显示了明显的浓度猝灭, 此时样品以红色上转换发光为主. 关键词： 2Br₅：Er³⁺')" href="#">KPb₂Br₅：Er³⁺ Judd-Ofelt理论 第一性原理 上转换发射     

The effects of light–heavy hole transitions on the cutoff wavelengths of far infrared detectors

Results are presented on the effects of doping variation on the cutoff wavelength (λ_c) of homojunction interfacial workfunction internal photoemission far infrared detectors. The behavior at low doping (<10¹⁹ cm⁻³) is well predicted by the free carrier absorption model used previously. However at high doping the observed λ_c is much shorter than the values predicted by the workfunction obtained from Arrhenius plots. An explanation for the reduced λ_c in the high doping region is presented using a model for depletion of the heavy hole band due to direct transitions from the heavy hole to light hole band.     

沟道层厚度对室温制备的In2O3薄膜晶体管器件性能的影响

在室温下采用直流磁控溅射以SiO₂/Si为衬底制备了不同沟道层厚度的底栅式In₂O₃薄膜晶体管,讨论了沟道层厚度对底栅In₂O₃薄膜晶体管的电学性能的影响。实验结果表明:器件的特性与沟道层厚度有关,最优沟道层厚度的In₂O₃薄膜晶体管为增强型,其阈值电压为2.5 V,开关电流比约为10⁶,场效应迁移率为6.2 cm²·V^-1·s^-1。     

Evaluation of the diffusion length of minority carriers in bulk GaAs

The diffusion length of minority charge carriers has been investigated in LEC GaAs, silicon-doped with doping density N_D - N_A ranging from 10¹⁶ to 10¹⁸ cm^-3, by surface photovoltage (SPV) and electron-beam-induced current (EBIC) of scanning electron microscopy (SEM) measurements. Au Schottky diodes have been evaporated along the diameter of wafers cut from different doping density ingots to determine the variation of minority carrier diffusion length with both the radial position on the slice and the carrier concentration. The diffusion length values obtained by optical and electron excitation enhance systematic differences, which can be explained by the different surface recombination weight in the carrier generation volume and by the injection level, too. In all the examined samples an M-shaped radial variation of the diffusion length has been observed; on the other hand, the mean value of L_p increases from 0.5 to 7 μm when the doping concentration increases. The authors correlate this distribution to the electrical inhomogeneity induced by native defects and associated recombination centres. The role of the dislocations, which induce two competitive effects, i.e. an enhanced recombination probability and a precipitate condensation, is here discussed.     

Growth condition optimization and mobility enhancement through inserting AlAs monolayer in the InP-based In_xGa_(1-x)As/In_(0.52)Al_(0.48)As HEMT structures

The structure of In P-based In_xGa_(1-x) As/In0.52Al0.48 As pseudomorphic high electron mobility transistor(PHEMT)was optimized in detail.Effects of growth temperature,growth interruption time,Si δ-doping condition,channel thickness and In content,and inserted Al As monolayer(ML) on the two-dimensional electron gas(2DEG) performance were investigated carefully.It was found that the use of the inserted Al As monolayer has an enhancement effect on the mobility due to the reduction of interface roughness and the suppression of Si movement.With optimization of the growth parameters,the structures composed of a 10 nm thick In0.75Ga0.25 As channel layer and a 3 nm thick Al As/In0.52Al0.48 As superlattices spacer layer exhibited electron mobilities as high as 12500 cm~2·V-1·s~(-1)(300 K) and 53500 cm~2·V~(-1_·s~(-1)(77 K) and the corresponding sheet carrier concentrations(Ns) of 2.8×10~(12)cm~(-2)and 2.9×1012cm~(-2),respectively.To the best of the authors' knowledge,this is the highest reported room temperature mobility for In P-based HEMTs with a spacer of 3 nm to date.     

HL-2M 装置 CO2 色散干涉仪研制

研制了一套新型 CO₂ 激光色散干涉仪用于 HL-2M 装置初始放电期间的电子密度测量。该系统采用 基于激光倍频的色散测量原理,能够消除机械振动产生的相位误差。该系统使用全新的调相式信号调制,研发了 相应的数据采集/处理/上传系统。根据实验测量结果表明,CO₂ 激光色散干涉仪和微波干涉仪测量曲线基本一致, 色散干涉仪系统的测量精度约为 2×10¹⁷m⁻³,密度测量上限能达到 10²¹m⁻³。     

稀土掺杂的NaGdF4上转换发光材料的合成与发光特性研究

采用水热法制备了一系列不同掺杂浓度的NaGdF₄:Re(Re=Tm³⁺,Er³⁺,Yb³⁺)上转换发光粉。通过X射线衍射(XRD)、电子扫描电镜(SEM)和上转换发射光谱对样品进行了表征。XRD研究结果表明:合成的样品均为六方结构NaGdF₄。估算的平均晶粒尺寸为41~43 nm。在980 nm红外光激发下,Er³⁺和Yb³⁺共掺杂的NaGdF₄发光粉发出分别来自于Er³⁺离子²H_{11/ 2},⁴S_3/2→⁴I_15/2跃迁的绿光和⁴F_9/2→⁴I_15/2跃迁的红光发射,Tm³⁺和Yb³⁺共掺杂的NaGdF₄发光粉发出分别来自Tm³⁺离子的¹G₄→³H₆跃迁的蓝光、¹G₄→³F₄和³F_2,3→³H₆跃迁的红光和³H₄→³H₆跃迁的近红外光发射。Er³⁺,Tm³⁺和Yb³⁺共掺杂的NaGdF₄发光粉的发光强度及红、绿、蓝光发射的相对强度受Yb³⁺离子掺杂浓度的影响。对样品中可能的上转换发光机制进行了讨论。计算的色坐标显示:可通过改变掺杂离子浓度对上转换发光的颜色进行调控。     

Y3+和Gd3+对LaBO3:Eu3+发光粉结构和发光性能的影响

采用溶胶凝胶-燃烧法合成了系列不同掺杂浓度Y³⁺和Gd³⁺的LaBO₃∶Eu³⁺发光粉,对其结构、形貌和发光性能进行了表征。XRD研究结果表明：发光粉的结构与基质掺杂离子的种类和掺杂浓度有关系。荧光光谱结果表明：适量比例Y³⁺和Gd³⁺离子掺杂将提高LaBO₃∶Eu³⁺发光粉的发光强度。Y³⁺和Gd³⁺离子最佳掺杂摩尔分数分别为1.5%和12.5%。⁵D₀→⁷F₂与⁵D₀→⁷F₁跃迁发射的相对强度比值说明：掺杂改变LaBO₃∶Eu³⁺中Eu³⁺局域环境的对称性。发光性能改变主要受晶体结构、掺杂离子电负性影响。Gd³⁺离子掺杂更有利于发光粉结构稳定性和发光性能的改善。     

High-spin study of Xe

High-spin states have been populated in ₅₄¹¹⁹Xe via the ⁹⁶Mo(²⁷Al,p3n) reaction at 133 MeV, using the γ-ray spectrometer to record triple γ-ray coincidences. The known level scheme has been significantly extended and several band crossings identified. In particular, the νh_11/2 yrast band has been extended to I^π = (83/2⁻) and shows features which are consistent with those of smooth band termination at high spin. Theoretical results for ¹¹⁹Xe at high spin are discussed within the framework of cranked Nilsson-Strutinsky calculations, together with results for ¹¹⁷Xe.     

微波低温制备Mg2Si0.4Sn0.6-yBiy热电材料的传输机理

德拜弛豫理论表明, 在频率为2.45 GHz的外加交变电磁场的作用下, 微波对极性分子的极化过程约为10^-10 s, 因此利用微波固相反应可以在短时低温条件下制备出纳米粉体材料. 本文以MgH₂代替Mg粉, 利用微波固相反应在低温下制备了Mg₂Si_0.4Sn_0.6-yBi_y (0 ≤y ≤q 0.03)固溶体, 并结合单带抛物线计算模型对其热电传输机理进行了分析. 研究结果表明: 利用该工艺可以有效抑制Mg的挥发和MgO 的生成, 在400 ℃保温15 min内即可完成MgH₂与Si粉和Sn粉的固相反应, 获得片层间距为100 nm的超细化学计量比产物; 杂质Bi的引入可以有效增加载流子浓度, 并引起晶格畸变, 在晶格畸变和样品特有的纳米片层结构的协同作用下, 声子得到有效散射, 样品具有最低的热导率1.36 W·m^-1·K^-1. 较低的有效掺杂率和复杂的能带结构具有降低能带态密度有效质量和减小载流子弛豫时间的双刃效应, 使得本征激发提前, 在600 K样品取得最大ZT值为0.66.     

橙红色荧光粉Ca3Y2Si3O12：Sm3+的制备及发光特性

采用高温固相法在1 400 ℃下经二次煅烧合成了橙红色荧光粉Ca₃Y_2-xSi₃O₁₂：xSm³⁺,研究了Sm³⁺离子掺杂浓度及助熔剂对荧光粉发光性能的影响。XRD结果显示,所合成的荧光粉的主晶相为Ca₃Y₂Si₃O₁₂。荧光光谱分析表明,Ca₃Y₂Si₃O₁₂：Sm³⁺硅酸盐荧光粉可以在320~500 nm范围内得到有效激发,并发射橙红光。在402 nm激发下,样品发射光谱中的主发射峰分别位于562 nm（⁴G_5/2→⁶H_5/2）、598 nm（⁴G_5/2→⁶H_7/2）和646 nm（⁴G_5/2→⁶H_9/2）,其中598 nm处峰值最大。改变Sm³⁺离子掺杂浓度发现：荧光粉发光强度先增大后减小,最佳Sm³⁺掺杂量x（Sm³⁺）为5%,浓度猝灭机理为离子间的相互作用。讨论了几种助熔剂的影响,NH₄F、CaF₂和NaCl均降低荧光粉的发光强度,只有H₃BO₃能够显著增强样品的发光,其最佳掺杂质量分数为1%。     

Device simulation of lead-free CH_3NH_3SnI_3 perovskite solar cells with high efficiency

The lead-free perovskite solar cells(PSCs) have drawn a great deal of research interest due to the Pb toxicity of the lead halide perovskite.CH_3NH_3SnI_3 is a viable alternative to CH_3NH_3PbX_3,because it has a narrower band gap of 1.3 eV and a wider visible absorption spectrum than the lead halide perovskite.The progress of fabricating tin iodide PSCs with good stability has stimulated the studies of these CH_3NH_3SnI_3 based cells greatly.In the paper,we study the influences of various parameters on the solar cell performance through theoretical analysis and device simulation.It is found in the simulation that the solar cell performance can be improved to some extent by adjusting the doping concentration of the perovskite absorption layer and the electron affinity of the buffer and HTM,while the reduction of the defect density of the perovskite absorption layer significantly improves the cell performance.By further optimizing the parameters of the doping concentration(1.3 × 10~(16) cm~3) and the defect density(1 × 10~(15) cm~3) of perovskite absorption layer,and the electron affinity of buffer(4.0 eV) and HTM(2.6 eV),we finally obtain some encouraging results of the J_(sc) of 31.59 mA/cm~2,V_(oc) of 0.92 V,FF of 79.99%,and PCE of 23.36%.The results show that the lead-free CH_3NH_3SnI_3 PSC is a potential environmentally friendly solar cell with high efficiency.Improving the Sn~(2+) stability and reducing the defect density of CH_3NH_3SnI_3 are key issues for the future research,which can be solved by improving the fabrication and encapsulation process of the cell.     

Effect of co-doped metal caions on the properties of Y_2O_3:Eu~(3+) phosphors synthesized by gel-combustion method

Y_2O_3:Eu~(3+) phosphors co-doped with different metal cations(Li~+, Na~+, K~+, Mg~(2+), Ca~(2+)) are prepared by the gelcombustion method with Y_2O_3, Eu_2O_3, and R(NO3)x(R = Li, Na, K, Mg, Ca) serving as raw materials and glycine as fuel,calcined at 1000?C for 2h. The synthesized Y_2O_3:Eu~(3+) phosphors doped with different metal cations and doping ratios are characterized by x-ray diffractometry(XRD), fluorescence and phosphorescent spectrophotometer. The co-doping metal cations are advantageous to the development of Y_2O_3:Eu~(3+) lattice. All the samples can emit red light peaked at 611 nm under 254-nm excited. The luminescence intensities of co-doping samples are increased because the cations increase the electron transition probability of Eu~(3+) from ~5D_0 level to ~7F level. The fluorescence lifetime of Eu~(3+)(~5D_0→~7F_2) is increased by doping metal cations.     

In2O3晶体电子结构和光吸收机理研究

为了得到准确的In₂O₃晶体电子结构, 本文分别采用GGA, GGA+U, HSE06的方法计算了电子结构, 并进行了G₀W₀修正, 通过比较计算结果, 得到HSE06+G₀W₀方法计算得到的禁带宽带最接近实验结果. 在此基础上使用Hedin的G₀W₀近似方法和Bethe-Salpeter方程计算得到了In₂O₃晶体的光学性质, 计算结果与实验结果吻合很好, 在此基础上通过对准粒子能带结构、光学跃迁矩阵和光学吸收谱的分析, 给出了In₂O₃晶体的光学跃迁机理.     

低速~(84)Kr~(15+,17+)离子轰击GaAs单晶

用345 keV的Kr15+和340 keV的Kr17+离子以45fi角入射n型GaAs单晶(100)面,测量了表面形貌的变化和发射的375—500 nm Ga I和Kr II的特征光谱线.Krq+(q=15,17)离子轰击后表面形貌的变化主要取决于入射离子的电荷态q.离子沉积到靶表面的能量引起Ga原子激发,其辐射光谱为Ga I 403.2 nm和Ga I 417.0 nm.入射离子中性化过程中俘获GaAs导带电子形成高激发态原子,通过级联退激填充3p,4d等空穴,P壳层电子跃迁发射谱线为Kr II 410.0 nm,Kr II 430.4 nm,Kr II 434.0 nm和Kr II 486.0 nm,Kr II486.0 nm为较强谱线.实验结果表明,入射离子与GaAs单晶相互作用发射的可见光产额与入射离子的电荷态密切相关,较高电荷态Kr17+离子入射产生的光辐射产额大约为Kr15+离子的两倍.