Density functional theory study of the hydrogen evolution reaction in haeckelite boron nitride quantum dots

To satisfy arising energy needs and to handle the forthcoming worldwide climate transformation, the major research attention has been drawn to environmentally friendly, renewable and abundant energy resources. Hydrogen plays an ideal and significant role is such resources, due to its non-carbon based energy and production through clean energy. In this work, we have explored catalytic activity of a newly predicted haeckelite boron nitride quantum dot (haeck-BNQD), constructed from the infinite BN sheet, for its utilization in hydrogen production. Density functional theory calculations are employed to investigate geometry optimization, electronic and adsorption mechanism of haeck-BNQD using Gaussian16 package, employing the hybrid B3LYP and wB97XD functionals, along with 6–31G(d,p) basis set. A number of physical quantities such as HOMO/LUMO energies, density of states, hydrogen atom adsorption energies, Mulliken populations, Gibbs free energy, work functions, overpotentials, etc., have been computed and analysed in the context of the catalytic performance of haeck-BNQD for the hydrogen-evolution reaction (HER). Based on our calculations, we predict that the best catalytic performance will be obtained for H adsorption on top of the squares or the octagons of haeck-BNQD. We hope that our prediction of most active catalytic sites on haeck-BNQD for HER will be put to test in future experiments.     

Role and prospects of green quantum dots in photoelectrochemical hydrogen generation: A review

Eco-friendly quantum dots (QDs) can be termed green QDs which stand as an attractive choice to modify the properties of known semiconductors in the direction of getting efficient photoelectrodes for solar-induced photoelectrochemical (PEC) splitting of water, due to their peculiar properties. Thus, it is of high significance to analyze their merit/demerit as an effective scaffold in PEC cell. QDs are known for their excellent optical properties however, the coupling of green QDs with semiconductor is not only useful in improving absorption characteristics but also promotes charge transfer. This review has undertaken the critical analysis on the worldwide research going on the green QDs modified photoelectrode with respect to their optical, electrical & photoelectrochemical properties, role, usefulness, efficiency, and finally the success in PEC system for hydrogen production. Various methods on the facile synthesis & sensitization techniques of green QDs available in the literature have also been discussed. Further, recent advances on the development of green QDs based photo-electrode, along with major challenges of using green QDs in this field have also been presented.     

Preparation of molecularly imprinted fluorescence sensor based on carbon quantum dots via precipitation polymerization for fluorescence detection of tetracycline

A facile and effective method was proposed to prepare the molecularly imprinted fluorescence sensor with carbon quantum dots, which were modified vinyl groups by acrylic acid on the surface. The obtained fluorescence composite material was investigated by transmission electron microscope and Fourier transform infrared spectra. After the experimental conditions were optimized, a linear range of 1.0–60 μmol L⁻¹ was obtained and the detection limit was 0.17 μmol L⁻¹. The novel fluorescence sensor can be successfully used to detect tetracycline in real samples. This study provides a convenient strategy for selective recognition and rapid detection of tetracycline in the complex environment.     

On‐the‐Spot Immobilization of Quantum Dots,Graphene Oxide,and Proteins via Hydrophobins

Class I hydrophobin Vmh2, a peculiar surface active and versatile fungal protein, is known to self‐assemble into chemically stable amphiphilic films, to be able to change wettability of surfaces, and to strongly adsorb other proteins. Herein, a fast, highly homogeneous and efficient glass functionalization by spontaneous self‐assembling of Vmh2 at liquid–solid interfaces is achieved (in 2 min). The Vmh2‐coated glass slides are proven to immobilize not only proteins but also nanomaterials such as graphene oxide (GO) and quantum dots (QDs). As models, bovine serum albumin labeled with Alexa 555 fluorophore, anti‐immunoglobulin G antibodies, and cadmium telluride QDs are patterned in a microarray fashion in order to demonstrate functionality, reproducibility, and versatility of the proposed substrate. Additionally, a GO layer is effectively and homogeneously self‐assembled onto the studied functionalized surface. This approach offers a quick and simple alternative to immobilize nanomaterials and proteins, which is appealing for new bioanalytical and nanobioenabled applications.     

Detailed Measurements of Nuclear Spin Polarizations in a Single InAlAs Quantum Dot Through Overhauser Shift of Photoluminescence

We investigated optical pumping of nuclear spin polarizations in a single self-assembled In_0.75Al_0.25As/Al_0.3Ga_0.7As quantum dot. The nuclear spin polarization exhibits the abrupt jump and hysteresis in the excitation power dependence at a particular excitation polarization. Measurement of circular polarization rate of the photoluminescence reveals that the abrupt change of the nuclear spin polarization is created mainly by the spin flip-flop process between nuclei and an electron of a positive charged exciton in this single quantum dot. Model calculation explains well the experimentally observed bistable behavior in InAlAs quantum dot. By using this abrupt change, the sign and magnitude of electron and hole g-factors in z-direction are verified.      

硅表面上的纳米量子点的自组织生长

纳米半导体量子点以其所具有的新颖光电性质与输运特性正在受到人们普遍重视。作为制备高质量纳米量子点的工艺技术 ,自组织生长方法倍受材料物理学家的青睐。而如何制备尺寸大小与密度分布可控的纳米量子点更为人们所注目。因为这是关系到纳米量子点最终能否器件实用化的关键。文中以此为主线 ,着重介绍了各种 Si表面 ,如常规表面、氧化表面、台阶表面以及吸附表面上 ,不同纳米量子点的自组织生长及其形成机理 ,并展望了其未来发展前景     

半导体量子点自组织生长的计算机模拟研究

采用平均场模型和非平均场模型对半导体量子点的自组织生长过程进行了计算机模拟研究。结果表明两种模型给出了相似的量子点的大小分布,但在平均尺寸、数量以及覆盖面积随时间的变化上存在着差别,针对这些差别给出了解释。     

Tuning of electronic states in self-assembled InAs quantum dots using an ion implantation technique

We report the tunability of up to 150 meV of the ground state transition of self-assembled InAs quantum dots (QDs) using Mn ion implantation and subsequent annealing. Because of the exciton localization in the quantum dots, the photoluminescence efficiency (T=12K) of the quantum dot transition remains at 80% of its original value after implantation with a Mn dose of 1×10¹³ cm⁻²ions. Strong luminescence still remains at room temperature. At a high implantation dose (1×10¹⁵ cm⁻²) and rapid thermal annealing (700°C for 60s) about 25% of the QD luminescence intensity is recovered at T=12K.     

硼预淀积对自组织生长Ge量子点尺寸分布的影响

研究了以不同B2H6流量预淀积硼对UHV/CVD自组织生长Ge量子点尺寸分布的影响。在适当的生长条件下,得到了尺寸分布很窄的均匀Ge量子点,用AFM对量子点的形貌进行观察,Ge量子点尺寸的涨落小于±3%,量子点的水平尺寸和高度分别为60nm和10nm,密度为8×109cm-2。实验结果表明,通过预淀积硼表面处理,可以得到尺寸分布很窄的量子点,以满足量子点光电器件方面应用的要求。