Tuning spin-filtering,rectifying, and negative differential resistance by hydrogenation on topological edge defects of zigzag silicene nanoribbons

By first-principles calculations, we propose three heterojunction nanodevices based on zigzag silicene nanoribbons with different edge-hydrogenated topological line defects. The devices all present excellent spin-filtering properties with 100% spin polarization as well as remarkable rectifying effect (with rectification ratio around 10²) and negative differential resistance behaviors. Our findings shed new light on the design of silicon-based nanodevices with intriguing spintronic applications.     

Interfacial p-n heterojunction of polyaniline-nickel ferrite nanocomposite as room temperature liquefied petroleum gas sensor

In this work, we introduce polyaniline–nickel ferrite (PANI-NF) nanostructured composite to detect liquefied petroleum gas (LPG) at room temperature. The composite synthesized by relatively simple method of in-situ chemical polymerization was structurally characterized by Fourier transform infrared spectroscopy (FTIR), X-ray diffraction (XRD), scanning electron microscopy (SEM) and transmission electron microscopy (TEM) techniques. The presence of characteristic absorption bands of both PANI and NF in the FTIR spectrum of the composite with small shifts confirmed interfacial interaction of PANI with NF. The XRD studies also confirmed interfacial interaction between PANI and NF in the composite and its crystalline nature with an average crystallite size of 20 nm. Highly agglomerated granular porous morphology favourable for LPG adsorption was revealed by SEM image of the composite. The TEM image of the composite clearly showed nanosized NF particles embedded in PANI matrix. The LPG sensing performance of the composite at room temperature was tested using a film prepared by depositing the composite on an ordinary glass substrate by cost-effective spin coating technique. The maximum sensing response of the composite was found to be 57% at 700 ppm of LPG, with a response time of 50 s and a recovery time of 200 s. The composite was found to be stable for a period of one month. The sensing mechanism has been discussed on the basis of formation of interfacial p–n heterojunction barrier.     

Investigation of Zn_(1-x)Cd_xO films bandgap and Zn_(1-x)Cd_xO/ZnO heterojunctions band offset by x-ray photoelectron spectroscopy

A series of Zn_(1-x)Cd_xO thin films have been fabricated on sapphire by pulsed-laser deposition(PLD), successfully. To investigate the effect of Cd concentration on structural and optical properties of Zn_(1-x)Cd_xO films, x-ray diffraction(XRD),ultraviolet-visible spectroscopy(UV-vis), and x-ray photoelectron spectroscopy(XPS) are employed to characterize the films in detail. The XRD pattern indicates that the Zn_(1-x)Cd_xO thin films have high single-orientation of the c axis. The energy bandgap values of ZnCdO thin films decrease from 3.26 eV to 2.98 eV with the increasing Cd concentration(x)according to the(αhν)~2–hν curve. Furthermore, the band offsets of Zn_(1-x)Cd_xO/ZnO heterojunctions are determinated by XPS, indicating that a type-I alignment takes place at the interface and the value of band offset could be tuned by adjusting the Cd concentration.     

具有光电倍增的宽光谱三相体异质结有机彩色探测器

实验研究了P3HT：PBDT-TT-F：PCBM三相体异质结活性层光谱拓宽及其材料混合度对探测器光电特性的影响以及陷阱辅助光电倍增的机理.在此基础上,获得了一个覆盖350–750 nm波长范围的彩色探测器.该探测器在-1 V低偏压下红绿蓝三基色的光响应度和外量子效率分别达到了470,381,450 mA/W和93%,89%,121%,比探测率均接近10¹² Jones,且各基色的特性参数最大平均相对偏差均小于20%,同时频率带宽分别达到了5,8,8 kHz.结果表明：在保持二相体异质结薄膜原有微观形貌下,掺入少量光谱拓宽材料可实现活性层吸收光谱的拓宽.利用能级陷阱中电子的辅助作用引入外电路空穴注入,可实现探测器光电倍增.通过调节三相材料的混合度可实现基色间探测能力的均衡性.     

十二烷二酸修饰TiO_2电子传输层改善钙钛矿太阳电池的电流特性

在经典的平面异质结钙钛矿太阳电池中,TiO_2致密层的电子传输性能一直是获得优异光伏性能的决定性因素之一.相较于spriro-OMe TAD等常见的空穴传输材料优异的空穴传输能力,作为电子传输材料的TiO_2的导电性较弱,无法形成良好的电荷匹配.为了解决这个问题,我们使用自组装的十二烷二酸(DDDA)单分子层来修饰TiO_2致密层的表面,TiO_2致密层的导电性能得到大幅提升,并且其能带结构得到优化,促进了电子传输,降低了电子积聚和载流子复合,使得电池的短路电流密度(JSC)从修饰前的20.34 mA·cm~(-2)提升至修饰后的23.28 mA·cm~(-2),进而使得电池在标准测量条件下的光电能量转换效率从14.17%提升至15.92%.同时还发现,通过DDDA修饰TiO_2致密层,所制备的器件的光稳定性显著提升,器件未封装暴露在AM 1.5光强100 mW·cm~(-2)的模拟太阳光下超过720 min,保持初始效率的71%以上且趋于稳定.     

δ-(Zn,Cr)S(111)表面上的Dzyaloshinsky-Moriya作用:第一性原理计算

根据密度泛函理论的第一性原理计算了具有非中心反演对称的异质结δ-(Zn,Cr)S(111)体系的原子结构和电子结构.Cr原子之间通过第一层S原子传递磁性相互作用.结合广义布洛赫条件,又进一步计算了反方向的自旋螺旋能量与波矢的色散关系E(q)与E(-q).E(q)与E(-q)能量之差反映了δ-(Zn,Cr)S(111)的S层与Cr层之间空间反演对称性破缺引起的DMI的大小.通过海森伯相互作用(HBI)模型与Dzyaloshinsky-Moriya作用(DMI)模型拟合第一性原理计算值,得到了Cr原子间各近邻的HBI参数J_1-J_4与DMI参数d-_1,d_2.在δ-(Zn,Cr)S(111)中,Cr原子间的耦合为M型反铁磁.DMI参数d_1为-0.53 meV,为顺时针手性DMI,在δ-(Zn,Cr)S(111)界面上有可能会产生斯格明子.本文计算表明,磁性和非磁性半导体界面有可能存在DMI,为理论研究和磁存储技术的进步开拓一个新的方向.     

Bi2SiO5半导体光催化剂

Bi基半导体光催化剂具备独特的电子能带结构、可调节与可拓展的光谱响应范围、低毒及组成元素供给丰富等优点,使其成为高效、可实用型光催化剂的重要候选者。而Bi基非金属氧酸盐作为新型半导体光催化剂,其非金属氧酸根的表面修饰作用及高结晶性使其呈现出更加独特的光催化活性。本文简要介绍了Bi基半导体光催化剂的结构特性及近几年的研究进展,重点综述了Bi基非金属氧酸盐的一员--Bi₂SiO₅及其制备、异质结的构建和电子能带结构的研究进展,并对其今后的研究与应用方向作了进一步的展望。     

用电化学沉积法制备ZnO/Cu2O异质p-n结

由于P型ZnO的制备仍然存在一定的困难,限制了ZnO在光电方面的应用,尤其是在发光二极管和激光器的实际应用,目前利用P型的透明半导体氧化物与n型ZnO制备异质p-n结,成为新的研究热点。选择P型导电Cu2O与ZnO制备出异质p-n结。Cu2O是一种典型的P型半导体材料,禁带宽度为2．1eV,可见光范围的吸收系数较高。首次利用电化学沉积的方法制备了ZnO／Cu2O异质p-n结,研究了电沉积ZnO,Cu2O的生长机制和ZnO／Cu2O异质结的结构、光学和电学特性。     

Ultraviolet electroluminescence from ZnO-based light-emitting diode with p-ZnO:N/n-GaN:Si heterojunction structure

A p-ZnO:N/n-GaN:Si structure heterojunction light-emitting diode (LED) is fabricated on c-plane sapphire by full metal organic chemical vapor deposition (MOCVD) technique. The p-type layer with hole concentration of 8.94×10¹⁶ cm⁻³ is composed of nitrogen-doped ZnO using NH₃ as the doping source with subsequent annealing in N₂O plasma ambient. Silicon-doped GaN film with electron concentration of 1.15×10¹⁸ cm⁻³ is used as the n-type layer. Desirable rectifying behavior is observed from the current-voltage (I-V) curve of the device. The forward turn on voltage is about 4 V and the reverse breakdown voltage is more than 7 V. A distinct ultraviolet (UV) electroluminescence (EL) with a dominant emission peak centered at 390 nm is detected at room temperature from the heterojunction structure under forward bias conditions. The origins of the EL emissions are discussed in comparison with the photoluminescence (PL) spectra.     

Screening influence on the Stark effect of impurity states in strained wurtzite GaN/AlxGa1-xN heterojunctions under pressure

The screening effect of the random-phase-approximation on the states of shallow donor impurities in free strained wurtzite GaN/Al x Ga 1 x N heterojunctions under hydrostatic pressure and an external electric field is investigated by using a variational method and a simplified coherent potential approximation.The variations of Stark energy shift with electric field,impurity position,Al component and areal electron density are discussed.Our results show that the screening dramatically reduces both the blue and red shifts as well as the binding energies of impurity states.For a given impurity position,the change in binding energy is more sensitive to the increase in hydrostatic pressure in the presence of the screening effect than that in the absence of the screening effect.The weakening of the blue and red shifts,induced by the screening effect,strengthens gradually with the increase of electric field.Furthermore,the screening effect weakens the mixture crystal effect,thereby influencing the Stark effect.The screening effect strengthens the influence of energy band bending on binding energy due to the areal electron density.