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Towards efficient solar-to-hydrogen conversion: Fundamentals and recent progress in copper-based chalcogenide photocathodes

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Nanophotonics 2016年第4期5卷 468-491页

作者： Chen, Yubin Feng, Xiaoyang Liu, Maochang Su, Jinzhan Shen, Shaohua International Research Center for Renewable Energy State Key Laboratory of Multiphase Flow in Power Engineering Xi'An Jiaotong University Shaanxi710049 China

Photoelectrochemical (PEC) water splitting for hydrogen generation has been considered as a promising route to convert and store solar energy into chemical fuels. In terms of its large-scale application, seeking semiconductor photoelectrodes with high efficiency and good stability should be essential. Although an enormous number of materials have been explored for solar water splitting in the last several decades, challenges still remain for the practical application. P-type copper-based chalcogenides, such as Cu(In, Ga)Se2 and Cu2ZnSnS4, have shown impressive performance in photovoltaics due to narrow bandgaps, high absorption coefficients, and good carrier transport properties. The obtained high efficiencies in photovoltaics have promoted the utilization of these materials into the field of PEC water splitting. A comprehensive review on copper-based chalcogenides for solar-to-hydrogen conversion would help advance the research in this expanding area. This review will cover the physicochemical properties of copper-based chalco-genides, developments of various photocathodes, strategies to enhance the PEC activity and stability, introductions of tandem PEC cells, and finally, prospects on their potential for the practical solar-to-hydrogen conversion. We believe this review article can provide some insights of fundamentals and applications of copper-based chalco-genide thin films for PEC water splitting. © 201. Y. Chen et al.

关键词： Photocathodes

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Research on droplets growth of Marangoni condensation during the time-series process

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Journal of Physics: Conference Series 2017年第1期925卷

作者： Y Li J Wang K Xia N Chen J Yan State Key Laboratory of Multiphase Flow in Power Engineering Xi'an Jiaotong University Xi'lan 710049 P.R. China

In this paper, the condensate droplets growth of Marangoni condensation during the time-series process was experimentally studied. The photographs taken in the experiments were handled by image processing method. The droplets coverage ratio was introduced to analyse the growth process. As the time-series process went on, the condensate droplets coverage ratio increased fast at first, and then increased slowly until reaching a stable state. The droplets coverage ratio increased with the increase in the vapor-to-surface temperature difference and decreased with the increase in the ethanol vapor concentration.

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Simulation and experimental study of phase isolation induced by a static cyclone device in a vertical upward pipe

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International Journal of Energy for a Clean Environment 2015年第1-4期16卷 139-156页

作者： Wang, Shuai Wang, Dong Niu, Pengman Zhang, Xingkai State Key Laboratory of Multiphase Flow in Power Engineering Xi'an Jiaotong University Xi'an710049 China

The study puts forward a forced way to realize phase isolation by using a static cyclone device and provides a basis for a systematic study of the phase-isolation phenomenon for an oil-water two-phase flow in a vertical upward pipe. An optimized style of the static cyclone device was chosen to simulate the phase-isolation characteristics that are influenced by various flow parameters (density, viscosity, velocity, oil diameter, etc.). It is observed that the phase-isolation characteristics are well approaching the ideal condition with the oil superficial velocity below 0.20 m/s and water superficial velocity between 0.25 and 0.8 m/s. The experimental results, which agree well with the simulation, also show that the static cyclone device can successfully be used to realize phase isolation. The phase-isolation method may provide an innovative approach to the measurement of phase holdup, the process of water reinjection, and the heat and mass transfer rates of a multiphase flow. © 201. by Begell House, Inc.

关键词： Two phase flow

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First principles investigation of quantum emission from hBN defects

arXiv

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arXiv 2017年

作者： Tawfik, Sherif Abdulkader Ali, Sajid Fronzi, Marco Kianinia, Mehran Tran, Toan Trong Stampfl, Catherine Aharonovich, Igor Toth, Milos Ford, Michael J. School of Mathematical and Physical Sciences University of Technology Sydney UltimoNSW2007 Australia Department of Physics GC University Faisalabad Allama Iqbal Road Faisalabad38000 Pakistan International Research Centre for Renewable Energy State Key Laboratory of Multiphase Flow in Power Engineering Xi'an Jiaotong University Xi'an Shaanxi710049 China School of Physics University of Sydney NSW2006 Australia

Hexagonal boron nitride (hBN) has recently emerged as a fascinating platform for room-temperature quantum photonics due to the discovery of robust visible light single-photon emitters. In order to utilize these emitters, it is necessary to have a clear understanding of their atomic structure and the associated excitation processes that give rise to this single photon emission. Here we perform density-functional theory (DFT) and constrained DFT calculations for a range of hBN point defects in order to identify potential emission candidates. By applying a number of criteria on the electronic structure of the ground state and the atomic structure of the excited states of the considered defects, and then calculating the Huang-Rhys (HR) factor, we find that the CBVN defect, in which a carbon atom substitutes a boron atom and the opposite nitrogen atom is removed, is a potential emission source with a HR factor of 1.66, in good agreement with the experimental HR factor. We calculate the photoluminescence (PL) line shape for this defect and find that it reproduces a number of key features in the the experimental PL lineshape. Copyright © 201., The Authors. All rights reserved.

关键词： III-V semiconductors

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Molecular dynamics simulation of the adsorption of sodium dodecyl benzene sulfonate at the decane-water interface

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Kung Cheng Je Wu Li Hsueh Pao/Journal of engineering Thermophysics 2016年第5期37卷 1011-1015页

作者： Wen, Bo-Yao Sun, Cheng-Zhen Che, Yu-Quan Bai, Bo-Feng State Key Laboratory of Multiphase Flow in Power Engineering Xi'an Jiaotong University Xi'an710049 China Frist Gas Production Factory PetroChina Xinjiang Oilfield Branch Company Karamay834000 China

Molecular dynamics method was employed to explore the micro-characteristic of decane-water interface with the adsorption of sodium dodecyl benzene sulfonate (SDBS). We analyzed the effect of interfacial molecular arrangement on the micro-structure and properties of oil-water interface from concentration distribution and molecular conformation insights. The results show that the thickness of decane-water interface is 0.378 nm. Both decane molecules and the dipole moment of water molecules tend to be parallel to the interface. The aggregation of surfactants at the interface increases the thickness of oil-water interface, therefore weakening the oil-water interaction and disrupting the directional alignment of water and decane molecules. Meanwhile, we found that there are some cavities at the decane-water interface, combining with the strong electrostatic interaction between hydrophilic groups and water molecules, can aggravate the diffusion of water molecules at the interface, thus enhancing the deformation ability of the interface. © 201., Science Press. All right reserved.

关键词： Molecular dynamics

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The Development of Candling Module Code in Module In-vessel Degraded Analysis Code MIDAC and the Relevant Calculation for CPR1.00 During Large-Break LOCA

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Journal of Nuclear engineering and Radiation Science 2016年第2期2卷 021002页

作者： Wang, Jun Fan, Yuqiao Zhang, Yapei Ni, Xinghe Tian, Wenxi Corradini, Michael L. Su, Guanghui Qiu, Suizheng State Key Laboratory of Multiphase Flow in Power Engineering Department of Nuclear Science and Technology Xi’an Jiaotong University Xi’an 710049 China College of Engineering University of Wisconsin-Madison Madison WI 53706

The occurrence of Fukushima has increased the focus on the development of severe accident codes and their applications. As a part of Chinese “National Major Projects,” a module in-vessel degraded analysis code (MIDAC) is currently being developed at Xi’an Jiaotong University. The developing situation of a candling module and relevant calculation for CPR1.00 for large break loss of coolant analysis (LOCA) are presented in this paper. The candling module focuses on the melting, moving, and relocation of the melting core materials and necessary thermal hydraulic information. MIDAC’s LOCA accident calculation results of Chinese pressure reactor 1.00 (CPR1.00) cover the melting mass distribution, peak temperature, and hydrogen generation. The results have been compared with MAAP. Through comparison, the candling module of MIDAC proved to be able to predict the moving trend of the molten material mass relocation in the reactor pressure vessel.

关键词： Melting MIDAC CPR1.00 Vessels MAAP severe accident flow (Dynamics) Accidents LOCA Temperature Hydrogen

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Corrigendum to “Huge wave and drop entrainment mechanism in gas–liquid churn flow” [Chem. Eng. Sci. 1.8 (201.) 638–646]

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Chemical engineering Science 2017年 158卷 624-624页

作者： Ke Wang Bofeng Bai Weimin Ma State Key Laboratory of Multiphase Flow in Power Engineering Xi'an Jiaotong University Shaanxi 710049 China Royal Institute of Technology (KTH) Stockholm 10691 Sweden

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Movement of Oil-Water-Solid Three-Phase Contact Line under Velocity Gradients

Movement of Oil-Water-Solid Three-Phase Contact Line under V...

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201.年大连国际微纳流体和微流控芯片大会(201. International Conference of Microfluidics, Nanofluidics and Lab-On-A-Chip

作者： Wenxiu ZHENG Chengzhen SUN Bofeng BAI State Key Laboratory of Multiphase Flow in Power Engineering Xi ''an Jiaotong University No.28 Xianning West Road Xi''an Shaanxi China

The movement of three-phase contact line which formed in the oil-water-solid three-phase area is of great importance in a number of applications, such as oil recovery, groundwater remediation, decontamination and deinking The process of oil droplets/film migration and detachment, which are controlled by the moving contact line, has shown its great significance in oil *** are various factors which can drive the contact line to move, such as pressure and electrical driving ***, which will generate a velocity gradient for the flow near the *** this paper, we dedicate to investigate the moving rule of contact line under a velocity gradient from molecular dynamics (MD) insights.

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Erosion of water-based fracturing fluid containing particles in a sudden contraction of horizontal pipe

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Journal of Physics: Conference Series 2017年第1期916卷

作者： Jiarui Cheng Yinping Cao Yihua Dou Zhen Li State Key Laboratory of Multiphase Flow in Power Engineering Xi'an Jiaotong University Xi'an China. Department of Mechanical Engineering Xi'an Shiyou University Xi'an China.

A lab experiment was carried out to study the effects of pipe flow rate, particle concentration and pipe inner diameter ratio on proppant erosion of the reducing wall in hydraulic fracturing. The results show that the erosion rate and erosion distribution are different not only in radial direction but also in circumferential direction of the sample. The upper part of sample always has a minimum erosion rate and erosion area. Besides, the erosion rate of reducing wall is most affected by fluid flow velocity, and the erosion area is most sensitive to the change in the diameter ratio. Meanwhile, the erosion rate of reducing wall in crosslinked fracturing fluid is mainly determined by the fluid flowing state due to the high viscosity of the liquid. In general, the increase in flow velocity and diameter ratio not only cause the expansion of erosion-affected flow region in sudden contraction section, but also lead to more particles impact the wall.

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Thermodynamic Analysis on of Skid-Mounted Coal-bed Methane Liquefaction Device using Cryogenic Turbo-Expander

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IOP Conference Series: Materials Science and engineering 2017年第1期278卷

作者： Shuangtao Chen Lu Niu Qiang Zeng Xiaojiang Li Fang Lou Liang Chen Yu Hou State Key Laboratory of Multiphase Flow in Power Engineering Xi'an Jiaotong University Xi'an 710049 PR China Xinjiang Coal Research Institute Urumqi 830091 PR China

Coal-bed methane (CBM) reserves are rich in Sinkiang of China, and liquefaction is a critical step for the CBM exploration and utilization. Different from other CBM gas fields in China, CBM distribution in Sinkiang is widespread but scattered, and the pressure, flow-rate and nitrogen content of CBM feed vary significantly. The skid-mounted liquefaction device is suggested as an efficient and economical way to recover methane. Turbo-expander is one of the most important parts which generates the cooling capacity for the cryogenic liquefaction system. Using turbo-expander, more cooling capacity and higher liquefied fraction can be achieved. In this study, skid-mounted CBM liquefaction processes based on Claude cycle are established. Cryogenic turbo-expander with high expansion ratio is employed to improve the efficiency of CBM liquefaction process. The unit {1. consumption per liquefaction mole flow-rate for CBM feed gas is used as the object function for process optimization, compressor discharge pressure, flow ratio of feed gas to turbo-expander and nitrogen friction are analyzed, and optimum operation range of the liquefaction processes are obtained.

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