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Photodegradation of Paracetamol using Electrosynthesized Silver Supported on Durio Zibethinus Husk

IOP Conference Series: Materials Science and engineering 2020年第4期736卷

作者： N W C Jusoh M H Mustapha A Masudi N F Jaafar Department of Chemical Process Engineering Malaysia-Japan International Institute of Technology (MJIIT) Universiti Teknologi Malaysia Kuala Lumpur Jalan Sultan Yahya Petra 54100 Kuala Lumpur Malaysia Advanced Materials Research Group Center of Hydrogen Energy Universiti Teknologi Malaysia 54100 Kuala Lumpur Malaysia School of Chemical Sciences Universiti Sains Malaysia 11800 USM Penang Malaysia

An advanced oxidation process (AOPs) using heterogeneous semiconductor photocatalysts such as TiO2, ZnO, CuO, and ZrO2 have become a popular method for the removal of toxic pollutants from wastewater. Recently, the noble metal nanoparticles (NPs), such as silver (Ag), gold (Au) and platinum (Pt) has also been intensively studied and show the intense UV and visible light absorbance capability. However, the usage of pure noble metal might be limited due to its cost, hence the utilization of support material is needed. Herein in this study, a simple electrochemical method was used to prepare a series of Ag (5, 10 and 15 wt%) loaded onto Durio Zibethinus Husk (Ag/DZH) as support material. The synthesized catalyst was examined using X-ray diffraction (XRD), Fourier Transform Infrared Spectroscopy (FT-IR), and Scanning Electron Microscopy (SEM) to measure the crystallinity, chemical composition and morphology, respectively. Additionally, the effect of Ag loading on DZH catalysts was evaluated through photocatalytic reaction to degrade 5 mg/L of pH 9 paracetamol in aqueous solution using 0.03 g/L catalyst. Among the catalysts, 10 wt% Ag/DZH shows the highest degradation rate of 0.01197 mg/*** due to its size, well distribution as well as metal-support interaction.

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Production of glucose by carbon dioxide-assisted hydrothermal pretreatment of oil palm frond

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AIP Conference Proceedings 2022年第1期2541卷

作者： Siti Jamilah Hanim Mohd Yusof Ahmad Muhaimin Roslan Shinji Fujimoto Mohd Rafein Zakaria Mohd Ali Hassan Yoshihito Shirai 1Faculty of Chemical Engineering Technology Universiti Malaysia Perlis Kompleks Pusat Pengajian Jejawi 3 Kawasan Perindustrian Jejawi 02600 Arau Perlis Malaysia. 2Department of Food and Process Engineering Faculty of Engineering Universiti Putra Malaysia 43400 Serdang Selangor Malaysia. 3Department of Bioprocess Technology Faculty of Biotechnology and Biomolecular Sciences Universiti Putra Malaysia 43400 Serdang Selangor Malaysia. 4Laboratory of Biopolymer and Derivatives Institute of Tropical Forestry and Forest Products (INTROP) Universiti Putra Malaysia 43400 Serdang Selangor Malaysia. 5Biomass Refinery Research Center National Institute of Advance Industrial Science and Technology (AIST) 3-11-32 Kagamiyama Higashi-Hiroshima Hiroshima 739-0046 Japan. 6Department of Biological Functions and Engineering Graduate School of Life Science and System Engineering Kyushu Institute of Technology 2-4 Hibikino Wakamatsu Fukuoka 808-0916 Japan.

Subcritical hydrothermal pretreatment of oil palm frond pressed fiber was conducted at various combined severity factors to evaluate the effect of carbon dioxide addition on the glucose recovery following saccharification. Preliminary pretreatment work using stainless steel tube reactor yielded a glucose production of 57.l% (gig substrate) at pretreatment condition of l80°C, l MPa carbon dioxide for 20 min. At the same time, improvement of cellulose percentage to 56.7%, together with a reduction of hemicellulose content of 50% was observed. Further pretreatment work using miniclave at l80°C and l MPa carbon dioxide for 30 minutes resulted in a higher glucose yield of 78.6% (gig substrate), which is 46.2% more compared to the untreated oil palm pressed fiber. Examination of physical properties of the pretreated pressed fiber indicated that subcritical hydrothermal pretreatment successfully altered its resilient structure where increment of crystallinity index, specific surface area and pore volume were achieved. Hence, this approach was found effective for high glucose recovery from oil palm frond for biethanol production.

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Engineered Anisotropic Fluids of Rare-Earth Nanomaterials

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Angewandte Chemie 2020年第41期132卷

作者： Shao B. Wan S. Yang C. Shen J. Li Y. You H. Chen D. Fan C. Liu K. Zhang H. State Key Laboratory of Rare Earth Resource Utilization Changchun Institute of Applied Chemistry Chinese Academy of Sciences Changchun 130022 China University of Science and Technology of China Hefei 230026 China Institute of Process Equipment College of Energy Engineering and State Key Laboratory of Fluid Power and Mechatronic Systems Zhejiang University Hangzhou 310027 China Frontiers Science Center for Transformative Molecules School of Chemistry and Chemical Engineering and Institute of Molecular Medicine Renji Hospital School of Medicine Shanghai Jiao Tong University Shanghai 200240 China National Center for Protein Science Shanghai Shanghai Advanced Research Institute Chinese Academy of Sciences Shanghai 201210 China Department of Chemistry Tsinghua University Beijing 100084 China

The self-assembly of inorganic nanoparticles into well-ordered structures in the absence of solvents is generally hindered by van der Waals forces, leading to random aggregates between them. To address the problem, we functionalized rigid rare-earth (RE) nanoparticles with a layer of flexible polymers by electrostatic complexation. Consequently, an ordered and solvent-free liquid crystal (LC) state of RE nanoparticles was realized. The RE nanomaterials including nanospheres, nanorods, nanodiscs, microprisms, and nanowires all show a typical nematic LC phase with one-dimensional orientational order, while their microstructures strongly depend on the particles’ shape and size. Interestingly, the solvent-free thermotropic LCs possess an extremely wide temperature range from −40 °C to 200 °C. The intrinsic ordering and fluidity endow anisotropic luminescence properties in the system of shearing-aligned RE LCs, offering potential applications in anisotropic optical micro-devices. © 2020 Wiley-VCH GmbH

关键词： anisotropic luminescence nanoengineering rare-earth materials self-assembly thermotropic liquid crystals

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I3−-Mediated Oxygen Evolution Activities to Boost Rechargeable Zinc-Air Battery Performance with Low Charging Voltage and Long Cycling Life

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Angewandte Chemie 2024年第4期137卷

作者： Dr. Xiaohong Zou Dr. Qian Lu Lizhen Wu Kouer Zhang Mingcong Tang Haijiao Xie Prof. Xiao Zhang Prof. Zongping Shao Prof. Liang An Department of Mechanical Engineering The Hong Kong Polytechnic University Hung Hom Kowloon Hong Kong SAR PR China Jiangsu Collaborative Innovation Center of Atmospheric Environment and Equipment Technology Jiangsu Key Laboratory of Atmospheric Environment Monitoring and Pollution Control School of Environmental Science and Technology Nanjing University of Information Science and Technology Nanjing 210044 PR China Department of Chemistry The Chinese University of Hong Kong Ma Lin building Shatin 999077 Hong Kong SAR PR China Hangzhou Yanqu Information Technology Co. Ltd. Y2 2 nd Floor Building 2 Xixi Legu Creative Pioneering Park No. 712 Wen'er West Road Xihu District Hangzhou City Zhejiang Province 310003 P.R.O.C. Research Institute for Advanced Manufacturing The Hong Kong Polytechnic University Hung Hom Kowloon Hong Kong SAR PR China Research Institute for Smart Energy The Hong Kong Polytechnic University Hung Hom Kowloon Hong Kong SAR PR China WA School of Mines: Minerals Energy and Chemical Engineering (WASM-MECE) Curtin University Perth WA-6102 Australia

An effective strategy to facilitate oxygen redox chemistry in metal-air batteries is to introduce a redox mediator into the liquid electrolyte. The rational utilization of redox mediators to accelerate the charging kinetics while ensuring the long lifetime of alkaline Zn-air batteries is challenging. Here, we apply commercial acetylene black catalysts to achieve an I 3 − -mediated Zn-air battery by using ZnI 2 additives that provide I 3 − to accelerate the cathodic redox chemistry and regulate the uniform deposition of Zn 2+ on the anode. The Zn-air battery performs an ultra-long cycle life of over 600 h at 5 mA cm −2 with a final charge voltage of 1.87 V. We demonstrate that I − mainly generates I 3 − on the surface of carbon catalysts during the electrochemically charging process, which can further chemically react with OH − to generate oxygen and further revert to I − , thus obtaining a stable electrochemical system. This work offers a strategy to simultaneously improve the cycling life and reduce the charging voltage of Zn-air batteries through redox mediator methods.

关键词： Zinc-air batteries Redox mediators oxygen electrocatalysts Redox chemistry Stability

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Evaluation of a Hydrotreated Vegetable Oil (HVO) and Effects on Emissions of a Passenger Car Diesel Engine

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Frontiers in Mechanical engineering 2018年 4卷

作者： Dimitriadis, Athanasios Natsios, Ioannis Dimaratos, Athanasios Katsaounis, Dimitrios Samaras, Zissis Bezergianni, Stella Lehto, Kalle Center for Research and Technology Hellas Chemical Process Energy Resources Institute Thessaloniki Greece Laboratory of Applied Thermodynamics Department of Mechanical Engineering Aristotle University of Thessaloniki Thessaloniki Greece Neste Corporation Espoo Finland

In the coming years, the application of paraffinic biofuels, such as Hydrotreated Vegetable Oils (HVO), in the transportation sector is expected to increase. However, as the composition of HVO is different compared to conventional diesel, the engine optimized for conventional fuel cannot take full advantage of the HVO beneficial properties. Suitable adjustment of a number of engine parameters, if not complete engine re-calibration, will enable the full exploitation of such fuels' potential for lower exhaust emissions and reduced fuel consumption. In the present work, the emission characteristics of HVO fuel in a light-duty Euro 5 diesel engine have been studied, under steady-state operation, as well as during the New European Driving Cycle (NEDC). The study was expanded to the investigation of exhaust emissions under modified Main Injection Timing (MIT) and EGR rate. The NEXBTL fuel, produced by Neste, was considered in the study and was compared with conventional market diesel. Emissions of nitric oxides (NOx), soot, carbon monoxide (CO), carbon dioxide (CO2), and hydrocarbons (HC) were studied. At default MIT and EGR settings the use of HVO resulted in a significant reduction of all regulated emissions. In addition, it was observed that the adjustment of MIT and EGR can enhance the exploitation of HVO potential for emissions reduction, highlighting the differences with the conventional diesel fuel. © Copyright © 2018 Dimitriadis, Natsios, Dimaratos, Katsaounis, Samaras, Bezergianni and Lehto.

关键词： Diesel engines

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Input optics systems of the KAGRA detector during O3GK (vol 2023, 023F01, 2023)

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PROGRESS OF THEORETICAL AND EXPERIMENTAL PHYSICS 2023年第5期2023卷

作者： Akutsu, T. Ando, M. Arai, K. Arai, Y. Araki, S. Araya, A. Aritomi, N. Asada, H. Aso, Y. Bae, S. Bae, Y. Baiotti, L. Bajpai, R. Barton, M. A. Cannon, K. Cao, Z. Capocasa, E. Chan, M. Chen, C. Chen, K. Chen, Y. Chiang, C-I Chu, H. Chu, Y-K Eguchi, S. Enomoto, Y. Flaminio, R. Fujii, Y. Fujikawa, Y. Fukunaga, M. Fukushima, M. Furuhata, T. Gao, D. Ge, G-G Ha, S. Hagiwara, A. Haino, S. Han, W-B Hasegawa, K. Hattori, K. Hayakawa, H. Hayama, K. Himemoto, Y. Hiranuma, Y. Hirata, N. Hirose, E. Hong, Z. Hsieh, B-H Huang, G-Z Huang, H-Y Huang, P. Huang, Y-C Huang, Y-J Hui, D. C. Y. Ide, S. Ikenoue, B. Imam, S. Inayoshi, K. Inoue, Y. Ioka, K. Ito, K. Itoh, Y. Izumi, K. Jeon, C. Jin, H-B Jung, K. Jung, P. Kaihotsu, K. Kajita, T. Kakizaki, M. Kamiizumi, M. Kanbara, S. Kanda, N. Kang, G. Kataoka, Y. Kawaguchi, K. Kawai, N. Kawasaki, T. Kim, C. Kim, J. Kim, J. C. Kim, Ws Kim, Y-M Kimura, N. Kita, N. Kitazawa, H. Kojima, Y. Kokeyama, K. Komori, K. Kong, A. K. H. Kotake, K. Kozakai, C. Kozu, R. Kumar, R. Kume, J. Kuo, C. Kuo, H-S Kuromiya, Y. Kuroyanagi, S. Kusayanagi, K. Kwak, K. Lee, H. K. Lee, H. W. Lee, R. Leonardi, M. Li, K. L. Lin, L. C-C Lin, C-Y Lin, F-K Lin, F-L Lin, H. L. Liu, G. C. Luo, L-W Majorana, E. Marchio, M. Michimura, Y. Mio, N. Miyakawa, O. Miyamoto, A. Miyazaki, Y. Miyo, K. Miyoki, S. Mori, Y. Morisaki, S. Moriwaki, Y. Nagano, K. Nagano, S. Nakamura, K. Nakano, H. Nakano, M. Nakashima, R. Nakayama, Y. Narikawa, T. Naticchioni, L. Negishi, R. Quynh, L. Nguyen Ni, W-T Nishizawa, A. Nozaki, S. Obuchi, Y. Ogaki, W. Oh, J. J. Oh, S. H. Ohashi, M. Ohishi, N. Ohkawa, M. Ohta, H. Okutani, Y. Okutomi, K. Oohara, K. Ooi, C. Oshino, S. Otabe, S. Pan, K-C Pang, H. Parisi, A. Park, J. Arellano, F. E. Pena Pinto, I. Sago, N. Saito, S. Saito, Y. Sakai, K. Sakai, Y. Sakuno, Y. Sato, S. Sato, T. Sawada, T. Sekiguchi, T. Sekiguchi, Y. Shao, L. Shibagaki, S. Shimizu, R. Shimoda, T. Shimode, K. Shinkai, H. Shishido, T. Shoda, A. Somiya, K. Son, E. J. Sotani, H. Sugimoto, R. Suresh, J. Suzuki, T. Suzuki, T. Tagoshi, H. Takahashi, H Gravitational Wave Science Project National Astronomical Observatory of Japan 2-21-1 Osawa Mitaka City Tokyo 181-8588 Japan Advanced Technology Center National Astronomical Observatory of Japan 2-21-1 Osawa Mitaka City Tokyo 181-8588 Japan Department of Physics The University of Tokyo 7-3-1 Hongo Bunkyo-ku Tokyo 113-0033 Japan Research Center for the Early Universe The University of Tokyo 7-3-1 Hongo Bunkyo-ku Tokyo 113-0033 Japan Institute for Cosmic Ray Research KAGRA Observatory The University of Tokyo 5-1-5 Kashiwa-no-Ha Kashiwa City Chiba 277-8582 Japan Accelerator Laboratory High Energy Accelerator Research Organization (KEK) 1-1 Oho Tsukuba City Ibaraki 305-0801 Japan Earthquake Research Institute The University of Tokyo 1-1-1 Yayoi Bunkyo-ku Tokyo 113-0032 Japan Department of Mathematics and Physics Graduate School of Science and Technology Hirosaki University 3 Bunkyo-cho Hirosaki Aomori 036-8561 Japan Kamioka Branch National Astronomical Observatory of Japan 238 Higashi-Mozumi Kamioka-cho Hida City Gifu 506-1205 Japan The Graduate University for Advanced Studies (SOKENDAI) 2-21-1 Osawa Mitaka City Tokyo 181-8588 Japan Korea Institute of Science and Technology Information 245 Daehak-ro Yuseong-gu Daejeon 34141 Republic of Korea National Institute for Mathematical Sciences 70 Yuseong-daero 1689 Beon-gil Yuseong-gu Daejeon 34047 Republic of Korea International College Osaka University 1-1 Machikaneyama-cho Toyonaka City Osaka 560-0043 Japan School of High Energy Accelerator Science The Graduate University for Advanced Studies (SOKENDAI) 1-1 Oho Tsukuba City Ibaraki 305-0801 Japan Department of Astronomy Beijing Normal University Xinjiekouwai Street 19 Haidian District Beijing 100875 China Department of Applied Physics Fukuoka University 8-19-1 Nanakuma Jonan Fukuoka City Fukuoka 814-0180 Japan Department of Physics Tamkang University No. 151 Yingzhuan Road Danshui Dist. New Taipei City 25137 Taiwan Department of Physics

KAGRA, the underground and cryogenic gravitational-wave detector, was operated for its solo observation from February 25 to March 10, 2020, and its first joint observation with the GEO 600 detector from April 7 to April 21, 2020 (O3GK). This study presents an overview of the input optics systems of the KAGRA detector, which consist of various optical systems, such as a laser source, its intensity and frequency stabilization systems, modulators, a Faraday isolator, mode-matching telescopes, and a high-power beam dump. These optics were successfully delivered to the KAGRA interferometer and operated stably during the observations. The laser frequency noise was observed to limit the detector sensitivity above a few kilohertz, whereas the laser intensity did not significantly limit the detector sensitivity.

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Anthropogenic and natural drivers of seesaw-like spatial patterns in precipitation mercury over western China

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Environmental Pollution 2022年 307卷

作者： Jie Huang Shichang Kang Long Wang Kaiyun Liu Kirpa Ram Mika Sillanpää Wenjun Tang Junming Guo Qianggong Zhang Ming Ma Lekhendra Tripathee Feiyue Wang State Key Laboratory of Tibetan Plateau Earth System Resources and Environment (TPESRE) Institute of Tibetan Plateau Research Chinese Academy of Sciences Beijing 100101 China University of the Chinese Academy of Sciences Beijing 100049 China State Key Laboratory of Cryospheric Science Northeast Institute of Eco-Environment and Resources Chinese Academy of Sciences Lanzhou 730000 China Institute of Atmospheric Environment Guangdong Provincial Academy of Environmental Science Guangzhou 510045 China State Key Joint Laboratory of Environment Simulation and Pollution Control School of Environment Tsinghua University Beijing 100084 China Institute of Environment and Sustainable Development Banaras Hindu University Varanasi 221005 India Department of Chemical Engineering School of Mining Metallurgy and Chemical Engineering University of Johannesburg Doornfontein 17011 South Africa Chemistry Department College of Science King Saud University Riyadh 11451 Saudi Arabia College of Resources and Environment Southwest University Chongqing 400715 China Center for Earth Observation Science And Department of Environment and Geography University of Manitoba Winnipeg Manitoba R3T 2N2 Canada

Investigation of mercury (Hg) from atmospheric precipitation is important for evaluating its ecological impacts and developing mitigation strategies. Western China, which includes the Tibetan Plateau and the Xinjiang Uyghur Autonomous Region, is one of the most remote region in the world and is understudied in regards to Hg precipitation. Here we report seesaw-like patterns in spatial variations of precipitation Hg in Western China, based on Hg speciation measurements at nine stations over this remote region. The Hg fraction analyzed included total Hg (Hg T ), particulate-bound Hg (Hg P ) and methylmercury (MeHg). Spatially, Hg T concentrations and percentage of Hg P in precipitation were markedly greater in the westerlies domain than those in the monsoon domain, but the higher wet Hg T flux, MeHg concentration and percentage of MeHg in precipitation mainly occurred in the monsoon domain. Similar spatial patterns of wet Hg deposition were also obtained from GEOS-Chem modeling. We show that the disparity of anthropogenic and natural drivers between the two domains are mainly responsible for this seesaw-like spatial patterns of precipitation Hg in Western China. Our study may provide a baseline for assessment of environmental Hg pollution in Western China, and subsequently assist in protecting this remote alpine ecosystem.

关键词： Precipitation mercury Seesaw-like patterns Anthropogenic and natural drivers Western China

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Global, regional, and national disease burden of multidrug-resistant tuberculosis without extensive drug resistance, 1990-2021: Findings from the Global Burden of Disease Study 2021

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Drug resistance updates : reviews and commentaries in antimicrobial and anticancer chemotherapy 2025年 82卷 101265页

作者： Xinyue Wang Anquan Shang Haowei Chen Jing Li Yuan Jiang Lili Wang Shuai Qiu Fenyong Sun Chaoyan Yue Department of Clinical Laboratory Medicine Shanghai Tenth People's Hospital School of Medicine Tongji University Shanghai 200072 PR China. Department of Laboratory Medicine The Second People's Hospital of Lianyungang Clinical College of Xuzhou Medical University Lianyungang 222006 PR China. Clinical Research Centre Zhujiang Hospital Southern Medical University Guangzhou Guangdong 510280 PR China. Division of TB and HIV/AlDS Prevention Shanghai Municipal Center for Disease Control and Prevention Shanghai PR China. Department of Clinical Laboratory Medicine Shanghai Tenth People's Hospital School of Medicine Tongji University Shanghai 200072 PR China. Electronic address: qsly2022@***. Department of Clinical Laboratory Medicine Shanghai Tenth People's Hospital School of Medicine Tongji University Shanghai 200072 PR China Department of Clinical Laboratory Shanghai Tenth People's Hospital School of Medicine School of Chemical Science and Engineering Tongji University Shanghai 200072 PR China. Electronic address: sunfenyong@***. Obstetrics & Gynecology Hospital of Fudan University Shanghai Key Lab of Reproduction and Development Shanghai Key Lab of Female Reproductive Endocrine Related Diseases Shanghai PR China. Electronic address: ***@***.

OBJECTIVE:Utilizing Global Burden of Disease Study (GBD 2021) data, this study aims to illustrate trends and spatiotemporal patterns of multidrug-resistant tuberculosis (MDR-TB) burden from 1990 to 2021, and explore their potential mechanisms. METHODS:This research extracted core indicators including incidence, mortality, prevalence, and disability-adjusted life years (DALYs), with their age-standardized rate (ASR). Joinpoint regression, age-period-cohort analysis, inequality analysis, and frontier analysis were applied to describe the temporal and spatial trends of the disease burden. Decomposition analysis and risk factor analysis were performed to explore factors associated with MDR-TB burden fluctuation. Bayesian Age-Period-Cohort (BAPC) model was used to project the disease burden till 2050. RESULTS:Global MDR-TB cases and ASRs of all indicators rose from 1990 to 2021, with heavier burden in older populations and lower socioeconomic regions. Cross-country inequality widened over time. Frontier analysis identified countries including India and Russia with considerable potential for improvement in disease control. Decomposition analysis uncovered epidemiological changes as the main driver of the growing burden globally. Risk factors of MDR-TB in different regions and age groups were heterogeneous. The numbers and ASRs of all indicators are predicted to increase by 2050. CONCLUSIONS:This study revealed that the global disease burden of MDR-TB increased from 1990 to 2021 and is predicted to grow till 2050. Disparities among different social-demographic regions were remarkable and extended over time. Epidemiological changes contributed most to the escalated disease burden. Targeted public health strategies should be adopted for patients in specific regions and age groups.

关键词： Global Burden of Disease Inequality MDR-TB Risk factor

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Micro-scale investigation on coupling of gas diffusion and mechanical deformation of shale

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Journal of Petroleum Science and engineering 2019年 175卷 961-970页

作者： Mingyao Wei Yingke Liu Jishan Liu Derek Elsworth Fubao Zhou IoT Perception Mine Research Center China University of Mining & Technology Xuzhou Jiangsu 221116 China State Key Laboratory of Geomechanics and Geotechnical Engineering Institute of Rock and Soil Mechanics Chinese Academy of Sciences Wuhan 430071 China Faculty of Safety Engineering China University of Mining & Technology Xuzhou Jiangsu 221116 China Key Laboratory of Gas and Fire Control for Coal Mines (Ministry of Education) China University of Mining & Technology Xuzhou Jiangsu 221116 China Department of Chemical Engineering School of Engineering The University of Western Australia 35 Stirling Highway Perth WA 6009 Australia Department of Energy and Mineral Engineering G3 Center and Energy Institute The Pennsylvania State University University Park PA 16802 USA

The nanopore structure usually exhibit complex geometry in the shale formation. The interactions between gas and pore structure in such heterogeneous property impacts the properties of shale gas transport in micro-scale. The precise description of this shale gas flow processes in detail is impossible if the micropore is not properly characterized. Thus, this study provides a simulation approach to model the complex geometry of nanopore structures in the shale formation. Based on SEM image segmentation of the shale matrix, the geometry of three compositions (nanopore, kerogen, and matrix) are explicitly simulated. Mass storage, transport mechanisms, and geomechanical properties are fully modeled in the micro-scale model. It demonstrates that the conventional dual porosity model fails to capture the storage and transport mechanisms in micro-scale by comparison with the micro-scale model. The simulation results reveal that stress-induced decrease of the diffusion coefficient is both time-dependent and space-dependent. The reduction of the diffusion coefficient can significantly cut down the adsorbed gas production in kerogen. It results in the low recovery rate of shale gas that a large proportion of adsorbed gas is unable to liberate. Moreover, the later stage of gas production is depended on the supply of adsorbed gas in kerogen.

关键词： Nanopores Micro-scale Explicit simulation approach Diffusion coefficient

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Efficient energy transport in an organic semiconductor mediated by transient exciton delocalization

arXiv

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arXiv 2020年

作者： Sneyd, Alexander J. Fukui, Tomoya Paleček, David Prodhan, Suryoday Wagner, Isabella Zhang, Yifan Sung, Jooyoung Collins, Sean M. Slater, Thomas J.A. Andaji-Garmaroudi, Zahra MacFarlane, Liam R. Diego Garcia-Hernandez, J. Wang, Linjun Whittell, George R. Hodgkiss, Justin M. Chen, Kai Beljonne, David Manners, Ian Friend, Richard H. Rao, Akshay Department of Physics Cavendish Laboratory University of Cambridge CambridgeCB3 0HE United Kingdom Department of Chemistry University of Victoria VictoriaBCV8P 5C2 Canada School of Chemistry University of Bristol BristolBS8 1TS United Kingdom Laboratory for Chemistry of Novel Materials University of Mons Mons7000 Belgium MacDiarmid Institute for Advanced Materials and Nanotechnology School of Chemical and Physical Sciences Victoria University of Wellington Wellington6010 New Zealand School of Chemical and Process Engineering School of Chemistry University of Leeds LeedsLS2 9JT United Kingdom Electron Physical Sciences Imaging Centre Diamond Light Source Ltd. OxfordshireOX11 0DE United Kingdom Center for Chemistry of Novel & High-Performance Materials Department of Chemistry Zhejiang University Hangzhou310027 China Robinson Research Institute Faculty of Engineering Victoria University of Wellington Wellington6012 New Zealand The Dodd-Walls Centre for Photonic and Quantum Technologies Dunedin9016 New Zealand

Efficient energy transport is highly desirable for organic semiconductor (OSC) devices such as photovoltaics, photodetectors, and photocatalytic systems. However, photo-generated excitons in OSC films mostly occupy highly localized states over their lifetime. Energy transport is hence thought to be mainly mediated by the site-to-site hopping of localized excitons, limiting exciton diffusion coefficients to below ~10-2 cm2/s with corresponding diffusion lengths below ~50 nm. Here, using ultrafast optical microscopy combined with non-adiabatic molecular dynamics simulations, we present evidence for a new highly-efficient energy transport regime: transient exciton delocalization, where energy exchange with vibrational modes allows excitons to temporarily re-access spatially extended states under equilibrium conditions. In films of highly-ordered poly(3-hexylthiophene) nanofibers, prepared using living crystallization-driven self-assembly, we show that this enables exciton diffusion constants up to 1.1 ± 0.1 cm2/s and diffusion lengths of 300 ± 50 nm. Our results reveal the dynamic interplay between localized and delocalized exciton configurations at equilibrium conditions, calling for a re-evaluation of the basic picture of exciton dynamics. This establishes new design rules to engineer efficient energy transport in OSC films, which will enable new devices architectures not based on restrictive bulk heterojunctions. © 2020, CC BY-SA.

关键词： Crystallinity

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