Determination of complex optical constants and photovoltaic device design of all-inorganic CsPbBr₃ perovskite thin films

All-inorganic perovskites exhibit interesting properties and unprecedented stability compared to organic-inorganic hybrid lead halide perovskites. This work focuses on depositing and characterizing cesium lead bromide (CsPbBr3) thin films and determining their complex optical constants, which is a key requirement for photovoltaic device design. CsPbBr3 thin films are synthesized via the solution method followed by a hot-embossing step to reduce surface roughness. Variable angle spectroscopic ellipsometry measurements are then conducted at three angles (45°, 55°, and 65°) to obtain the ellipsometric parameters psi (Ψ) and delta (Δ). For the present model, bulk planar CsPbBr3 layer is described by a one-dimensional graded index model combined with the mixture of one Tauc-Lorentz oscillator and two Gaussian oscillators, while an effective medium approximation with 50% air void is adopted to describe surface roughness layer. The experimental complex optical constants are finally determined in the wavelength range of 300 to 1100 nm. Furthermore, as a design example demonstration, the simulations of single-junction CsPbBr3 solar cells are conducted via the finite-difference time-domain method to investigate the properties of light absorption and photocurrent density

Secondary ion mass spectrometry of vapor−liquid−solid grown, Au-catalyzed, Si wires

Knowledge of the catalyst concentration within vapor-liquid-solid (VLS) grown semiconductor wires is needed in order to assess potential limits to electrical and optical device performance imposed by the VLS growth mechanism. We report herein the use of secondary ion mass spectrometry to characterize the Au catalyst concentration within individual, VLS-grown, Si wires. For Si wires grown by chemical vapor deposition from SiCl_4 at 1000 °C, an upper limit on the bulk Au concentration was observed to be 1.7 x 10^16 atoms/cm^3, similar to the thermodynamic equilibrium concentration at the growth temperature. However, a higher concentration of Au was observed on the sidewalls of the wires

Synthesis and Characterization of Silicon Nanorod Arrays for Solar Cell Applications

Silicon nanorods have been grown by chemical vapor deposition of silane, using both gold and indium as catalysts for the vapor liquid solid (VLS) process. Conditions for optimal rod morphology for each catalyst were identified by varying silane partial pressure and temperature in the range P = 0.05-1 Torr and T = 300-600 C, respectively. In most cases, catalyst particles were formed by partial de-wetting of evaporated films of the catalytic material to form droplets with diameters of tens to hundreds of nanometers. Also, periodic arrays of catalyst particles with controlled size and spacing were achieved both by the use of porous alumina membranes and also by electron-beam lithography. Using these techniques, silicon nanorods were grown with diameters of 100 nm to microns and lengths of microns to tens of microns. Four-point and gate-bias-dependent resistance measurements were made on single wires, and these indicate that rods we have grown with gold catalysts and phosphine doping have metal-like conductivity

Spectroscopic evidence for a surface layer in CuInSe2:Cu deficiency

The near-surface region of thin-film polycrystalline (PX) CuIn1-xGaxSe2 (CIGS) is considered important because it is the region where the electrical junction forms in a CIGS photovoltaic device. Spectroscopic ellipsometry measurements of polycrystalline CuInSe2 films reveal that there is a thin layer at the surface which has different optical and electronic properties from those of the bulk film. This surface layer of thin-film CIGS has a larger band gap and greater spin-orbit interaction energy than the bulk film. These properties indicate that the surface layer is more Cu deficient than the bulk in the nearly stoichiometric thin-film PX-CIGS used in photovoltaic devices. This work provides an insight into the importance of surface layer engineering for photovoltaic device design. (C) 2007 American Institute of Physics

Developments and Applications of Analytic Excited-State Energy Gradient and Hessian of TDDFT/MM

近年来随着环境污染治理、清洁能源开发、生物信号检测以及光电分子器件设计等方面的研发及在现实生活中的广泛应用，人们对生物、化学及材料中的光化学和光物理过程表现出越来越浓厚的兴趣。实验方面，得益于飞秒瞬态吸收和发射光谱技术的使用，人们可以深入理解分子受光激发后光物理和光化学过程的微观机理。而另一方面，理论描述这些光物理和光化学过程则需要涉及众多复杂的激发态，这给当前使用的理论模型和计算方法提出了挑战,特别是当研究的体系增大，或者研究的体系处于复杂的环境中时，众多理论方法已丧失准确性。因此进一步发展新颖的理论计算方法及高效的计算程序变得尤为重要。 鉴于光化学、光物理现象与过程大都发生于真实复杂...Currently there is a considerably increasing interest onunderstanding and regulating the photophysical and photochemical processes of the organic molecules, biological systems, and natural or artificial photosynthesized systems since those processes are important in energy and environmental sciences, and photovoltaic device design, etc. Meanwhile, the remarkable progress of new techniques in femto...学位：理学博士院系专业：化学化工学院_物理化学学号：2052012015353

Preparation of Photoactive Transition-Metal Layered Double Hydroxides (LDH) to Replace Dye-Sensitized Materials in Solar Cells

This work highlights the use of Fe-modified MgAl-layered double hydroxides (LDHs) to replace dye and semiconductor complexes in dye-sensitized solar cells (DSSCs), forming a layered double hydroxide solar cell (LDHSC). For this purpose, a MgAl-LDH and a Fe-modified MgAl LDH were prepared. X-ray diffraction spectroscopy (XRD), scanning electron microscopy (SEM), and energy-dispersive X-ray (EDX) spectroscopy were used to analyze the structural properties, morphology, and success of the Fe-modification of the synthesized LDHs. Ultraviolet-visible (UV-Vis) absorption spectroscopy was used to analyze the photoactive behavior of these LDHs and compare it to that of TiO2 and dye-sensitized TiO2. Current-voltage (I–V) solar simulation was used to determine the fill factor (FF), open circuit voltage (VOC), short circuit current (ISC), and efficiency of the LDHSCs. It was shown that the MgFeAl-LDH can act as a simultaneous photoabsorber and charge separator, effectively replacing the dye and semiconductor complex in DSSCs and yielding an efficiency of 1.56%

Manufacturing of Photovoltaic Devices, Power Electronics and Batteries for Local Direct Current Power Based Nanogrid

To meet the current and future demands of electrical power for household, industrial, commercial and transport sectors, the energy infrastructure has to undergo changes in terms of generation, distribution and consumption. Due to the shortcomings of nuclear and fossil fuel based power generation, the emergence of renewable energy has provided a very lucrative option. With the advent of low-cost photovoltaics (PV) panels and our ability to generate, store and use electrical energy locally without the need for long-range transmission, the world is about to witness transformational changes in electricity infrastructures. For local nano-grids, direct current (DC) -based system has several distinct advantages that are demonstrated through theoretical and experimental results. A PV- powered and local DC power based nano-grids can be more efficient, reliable, cyber secured, and can easily adopt internet of things (IoT) platforms. With DC generation, storage and consumption, significant amount of energy can be saved that are wasted in back and forth conversion between AC and DC. In case of geomagnetic disturbances, such nano-grids will be more resilient compared to centralized distribution network. Free-fuel, i.e. sunlight, based local DC nano-grid can be the sustainable and cost effective solution for underdeveloped, developing and developed economies. To take advantage of this, the manufacturing of PV, power electronics and batteries have to follow the best practices that aid process control, quality improvement and potential cost reduction. Without proper process control, the variation will result in yield loss, inferior performance and higher cost of production. On many instances, these issues were not considered, and some technology such as perovskite solar cell, received a lot of attention as a disruptive technology. Through detailed technical and economic assessments, it was shown that the variability and lack of rigorous process control will result in a lower efficiency when perovskite thin film solar cells are connected together to form a module. Due to stability and performance reasons, it was showed the perovskite solar cell is not ideal for 2-terminal or 4-terminal multi-junction/tandem configuration with silicon cells. Power electronics also play a vital role in PV systems. The challenges and design rules for silicon carbide (SiC) and gallium nitride (GaN) based power device manufacturing were analyzed. Based on it, advanced process control (APC) based single wafer processing (SWP) tools for manufacturing SiC and GaN power devices are proposed. For energy storage, batteries play an important role in PV installation. Li-ion technology will become the preferred storage due to its capabilities. Incorporation of advanced process control, rapid thermal processing, Industrial IoT, etc. can reduce variability, improve performance and reduce quality-check failures and bring down the cost of electrochemical batteries. The combined approaches in manufacturing of PV, power electronics and batteries will have a very positive impact in the growth of PV powered DC –based nano-grids

Further Cost Reduction of Battery Manufacturing

The demand for batteries for energy storage is growing with the rapid increase in photovoltaics (PV) and wind energy installation as well as electric vehicle (EV), hybrid electric vehicle (HEV) and plug-in hybrid electric vehicle (PHEV). Electrochemical batteries have emerged as the preferred choice for most of the consumer product applications. Cost reduction of batteries will accelerate the growth in all of these sectors. Lithium-ion (Li-ion) and solid-state batteries are showing promise through their downward price and upward performance trends. We may achieve further performance improvement and cost reduction for Li-ion and solid-state batteries through reduction of the variation in physical and electrical properties. These properties can be improved and made uniform by considering the electrical model of batteries and adopting novel manufacturing approaches. Using quantum-photo effect, the incorporation of ultra-violet (UV) assisted photo-thermal processing can reduce metal surface roughness. Using in-situ measurements, advanced process control (APC) can help ensure uniformity among the constituent electrochemical cells. Industrial internet of things (IIoT) can streamline the production flow. In this article, we have examined the issue of electrochemical battery manufacturing of Li-ion and solid-state type from cell-level to battery-level process variability, and proposed potential areas where improvements in the manufacturing process can be made. By incorporating these practices in the manufacturing process we expect reduced cost of energy management system, improved reliability and yield gain with the net saving of manufacturing cost being at least 20%