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Unconventional excitonic states with phonon sidebands in layered silicon diphosphide (Jun, 10.1038/s41563-022-01285-3, 2022)

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NATURE MATERIALS 2022年第10期21卷 1212-1212页

作者： Zhou, Ling Huang, Junwei Windgaetter, Lukas Ong, Chin Shen Zhao, Xiaoxu Zhang, Caorong Tang, Ming Li, Zeya Qiu, Caiyu Latini, Simone Lu, Yangfan Wu, Di Gou, Huiyang Wee, Andrew T. S. Hosono, Hideo Louie, Steven G. Tang, Peizhe Rubio, Angel Yuan, Hongtao National Laboratory of Solid State Microstructures Jiangsu Key Laboratory of Artificial Functional Materials College of Engineering and Applied Sciences and Collaborative Innovation Center of Advanced Microstructures Nanjing University Nanjing China Max Planck Institute for the Structure and Dynamics of Matter Center for Free Electron Laser Science Hamburg Germany Department of Physics University of California Berkeley CA USA Materials Sciences Division Lawrence Berkeley National Laboratory Berkeley CA USA School of Materials Science and Engineering Peking University Beijing China Materials Research Center for Element Strategy Tokyo Institute of Technology Yokohama Japan College of Materials Science and Engineering National Engineering Research Center for Magnesium Alloys Chongqing University Chongqing China Center for High Pressure Science and Technology Advanced Research Beijing China Department of Physics National University of Singapore Singapore Singapore School of Materials Science and Engineering Beihang University Beijing China Center for Computational Quantum Physics Simons Foundation Flatiron Institute New York NY USA

Complex correlated states emerging from many-body interactions between quasiparticles (electrons, excitons and phonons) are at the core of condensed matter physics and material science. In low-dimensional materials, quantum confinement affects the electronic, and subsequently, optical properties for these correlated states. Here, by combining photoluminescence, optical reflection measurements and ab initio theoretical calculations, we demonstrate an unconventional excitonic state and its bound phonon sideband in layered silicon diphosphide (SiP2), where the bound electron–hole pair is composed of electrons confined within one-dimensional phosphorus–phosphorus chains and holes extended in two-dimensional SiP2 layers. The excitonic state and emergent phonon sideband show linear dichroism and large energy redshifts with increasing temperature. Our ab initio many-body calculations confirm that the observed phonon sideband results from the correlated interaction between excitons and optical phonons. With these results, we propose layered SiP2 as a platform for the study of excitonic physics and many-particle effects.

关键词： Electronic properties and materials Electronic structure Optical spectroscopy Two-dimensional materials

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Thiamine deficiency underlies persistent gut dysbiosis and inflammation in people living with HIV on antiretroviral therapy

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Translational Medicine Communications 2024年第1期9卷 1-12页

作者： Ishizaka, Aya Koga, Michiko Mizutani, Taketoshi Suzuki, Yutaka Matano, Tetsuro Yotsuyanagi, Hiroshi Division of Infectious Diseases Advanced Clinical Research Center the Institute of Medical Science The University of Tokyo Tokyo Japan Department of Computational Biology and Medical Sciences Graduate School of Frontier Sciences The University of Tokyo Chiba Japan AIDS Research Center National Institute of Infectious Diseases Tokyo Japan Department of AIDS Vaccine Development Institute of Medical Science the University of Tokyo Tokyo Japan Department of Infectious Diseases and Applied Immunology IMSUT Hospital of Institute of Medical Science the University of Tokyo Tokyo Japan

Antiretroviral therapy (ART) has significantly improved the prognosis for people living with human immunodeficiency virus (PLWH). However, alterations in the gut microbiota of PLWH affect their metabolic environment and may contribute to chronic inflammation and premature aging, despite effective ART. Given that inflammation in the body have been shown to be risk factors for age-related diseases, elucidating changes in the gut microbiota and metabolic levels over time in individuals would be for understanding the dynamics in the body that lead to disease development. The study assessed changes in blood markers, gut microbiota, and metabolic environment of PLWH on ART for four years, with participants divided into two groups based on median CD4 cell count (580/µL). The high-CD4 group was more obese than the low-CD4 group, but there was no significant difference in comorbidities, such as diabetes, hypertension, and dyslipidemia. An investigation of the alterations in gut microbiota over a 4-year period revealed a reduction in specific groups of bacteria that produce short-chain fatty acids (SCFAs) and an increase in the occurrence of Enterobacteriaceae. In addition, a decline in bacterial thiamine synthesis was predicted, and a decreased abundance of the Ruminococcus gauvreauii group, which relies on supplementation with thiamine from symbiotic bacteria, was observed. The abundance of Collinsella and Catenibacterium at baseline was positively correlated with the predicted number of thiamine-synthesizing pathway. The presence of Catenibacterium at follow-up was inversely correlated with the rate of increase in plasma levels of lipopolysaccharide-binding protein, an indicator of a leaky gut. In terms of assessing the diversity of gut microbiota, a trend towards an increase in opportunistic bacteria with different genetic distances was observed in the high-CD4 group at follow-up. These observations suggested that, despite effective ART, the thiamine-deficient environment

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Cholesterylation of Smoothened is a calcium-accelerated autoreaction involving an intramolecular ester intermediate

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细胞研究（英文版） 2022年第3期32卷 288-301页

作者： Ao Hu Jing-Zan Zhang Jie Wang Chen-Chen Li Meng Yuan Gang Deng Zi-Cun Lin Zhi-Ping Qiu Hu-Yue Liu Xian-Wei Wang Peng-Cheng Wei Xiao He Xiaolu Zhao Wen-Wei Qiu Bao-Liang Song The Institute for Advanced Studies Hubei Key Laboratory of Cell HomeostasisCollege of Life SciencesTaiKang Center for Life and Medical SciencesTaiKang Medical SchoolWuhan UniversityWuhanHubeiChina Shanghai Engineering Research Center of Molecular Therapeutics and New Drug Development School of Chemistry and Molecular EngineeringEast China Normal UniversityShanghaiChina Shanghai Engineering Research Center of Molecular Therapeutics and New Drug Development School of Chemistry and Molecular EngineeringEast China Normal UniversityShanghaiChina College of Science Zhejiang University of TechnologyHangzhouZhejiangChina Shanghai Engineering Research Center of Molecular Therapeutics and New Drug Development School of Chemistry and Molecular EngineeringEast China Normal UniversityShanghaiChina NYU-ECNU Center for Computational Chemistry at NYU Shanghai ShanghaiChina

Hedgehog(Hh)is a morphogen that binds to its receptor Patched 1 and activates Smoothened(SMO),thereby governing embryonic development and postnatal tissue *** can bind and covalently conjugate to the luminal cysteine-rich domain(CRD)of human SMO at the D95 residue(D99 in mouse).The reaction mechanism and biological function of SMO cholesterylation have not been ***,we show that the SMO-CRD undergoes auto-cholesterylation which is boosted by calcium and involves an intramolecular ester *** cells,Hh stimulation elevates local calcium concentration in the SMO-localized endosomes through store-operated calcium *** addition,we identify the signaling-incompetent SMO D95E mutation,and the D95E mutant SMO can bind cholesterol but cannot be modified or activated by *** homozygous SmoD99E/D99E knockin mice are embryonic lethal with severe developmental delay,demonstrating that cholesterylation of CRD is required for full-length SMO *** work reveals the unique autocatalytic mechanism of SMO cholesterylation and an unprecedented role of calcium in Hh signaling.

关键词： Morphogen signalling Post-translational modifications Life sciences general Cell Biology

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Interpretation of possible biogas production capacity by investigating the effects of anaerobic digester tank geometry and angular velocity on flow characteristics

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Environmental science and Pollution research 2024年第50期31卷 60220-60234页

作者： Celik, Ahmet Fırat Elibol, Emre Askin Turgut, Oguz Senol, Halil Sillanpää, Mika Institute of Natural and Applied Sciences Gazi University Ankara Turkey Department of Mechanical Engineering Faculty of Engineering Giresun University Giresun Turkey Department of Mechanical Engineering Faculty of Engineering Gazi University Ankara Turkey Department of Energy Systems Engineering Faculty of Engineering Giresun University Giresun Turkey Functional Materials Group Gulf University for Science and Technology Mubarak Al-Abdullah32093 Kuwait Adnan Kassar School of Business Lebanese American University Beirut Lebanon Centre of Research Impact and Outcome Chitkara University Institute of Engineering and Technology Rajpura-140401 Punjab India Division of Research & amp Development Lovely Professional University Phagwara-144411 Punjab India Department of Chemical Engineering School of Mining Metallurgy and Chemical Engineering University of Johannesburg P. O. Box 17011 Doornfontein2028 South Africa Department of Civil Engineering University Centre for Research & ampDevelopment Chandigarh University Punjab Gharuan Mohali India Sustainability Cluster School of Advanced Engineering UPES Bidholi Uttarakhand Dehradun248007 India

Mixing performance in reactors producing biogas through anaerobic digestion is one of the parameters that directly affect biogas yield. The most commonly used mixing model for bioreactors in biogas-production processes is mechanical mixing. In the present study, we focus on the geometry of the tank, where the mechanical mixing actually takes place. In this context, by using the six-blade standard Rushton impeller in two different types of tank, flow patterns involving velocity, dead zone volume, turbulent kinetic energy, and turbulent eddy dissipation rate in the angular velocity range of 25–100 rpm were observed, and the possible effects of the results on biogas production were interpreted. A new impeller design was proposed that maximizes the interface between the fluid inside the reactor tank and the impeller, which has the potential to reduce the dead zone volume to significantly lower levels. Our results showed that the lowest dead zone volume was achieved for a 60° slope reactor tank compared to the conventional 90° slope reactor tank at an angular velocity of 100 rpm. The dead zone volume decreased to 0.000094 m3 at 100 rpm in the 60° slope reactor tank with a total volume of 0.0305 m3, which by comparison was 0.000374 m3 in the 90° slope reactor tank. The magnitudes of both maximum turbulent kinetic energy and maximum turbulent eddy dissipation were higher in the 60° slope reactor tank at all angular velocities examined, which would be expected to enhance mixing performance. It is hoped that the reader will benefit from the results of this study;however, further studies should be conducted on the use of actual biowaste as the working fluid instead of water. © The Author(s), under exclusive licence to Springer-Verlag GmbH Germany, part of Springer Nature 2024.

关键词： Angular velocity

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Discrimination of Cocoa Beans using Structural Image Features: An Experimental Analysis 1

Discrimination of Cocoa Beans using Structural Image Feature...

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1st IEEE IAS Global Conference on Emerging Technologies, GlobConET 2022

作者： Das, Samikshan Akuli, Amitava Biswas, SuparnaParua Dey, Aniruddha Ghosh, Ankush Shaw, RabindraNath Centre for Development of Advanced Computing Kolkata700 091 India Maulana Abul Kalam Azad University of Technology Dept. of Information Technology Nadia741 249 India Neotia University School of Engineering and Applied Science Kolkata India Bharath Institute of Higher Education and Research Chennai India Chandigarh University Punjab Mohali India

ISBN: (数字)9781665443579

ISBN: (纸本)9781665443579

This paper proposes a machine vision solution for classification of cocoa beans using structural characteristics like shape and size of the cocoa beans extracted from images using classic machine learning techniques. The features are extracted from images through a chain of image processing *** traditional machine learning techniques (KNN, SVM, Decision Tree and Random Forest) are employed to classify the cocoa beans in four classes e.g. large, medium, small and rejected. Comparative studies among different techniques are also performed. Prior to train the model, extracted features are optimized by two optimization techniques-Univariate Selection and Feature Importance. Trained models are evaluated using stratified K-fold cross validation and finally mean cross validation scores are calculated for performance analysis. The experimental results show that the Random Forest Classifier provides highest accuracy score of 0.75. © 2022 IEEE.

关键词： Decision trees

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Charge equilibration of laser-accelerated carbon ions in a porous-structure foam target

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Physical Review A 2024年第4期109卷 042810-042810页

作者： Bubo Ma Jieru Ren Lirong Liu Wenqing Wei Benzheng Chen Shizheng Zhang Hao Xu Zhongmin Hu Fangfang Li Xing Wang Wenxuan Li Qiuyan Li Shuai Yin Jianhua Feng Xianming Zhou Yifang Gao Yuan Li Xiaohua Shi Jianxing Li Xueguang Ren Zhongfeng Xu Zhigang Deng Wei Qi Shaoyi Wang Quanping Fan Bo Cui Weiwu Wang Zongqiang Yuan Jian Teng Yuchi Wu Zhurong Cao Zongqing Zhao Yuqiu Gu Leifeng Cao Shaoping Zhu Rui Cheng Yu Lei Zhao Wang Zexian Zhou Guoqing Xiao Hongwei Zhao Dieter H. H. Hoffmann Weimin Zhou Yongtao Zhao MOE Key Laboratory for Nonequilibrium Synthesis and Modulation of Condensed Matter School of Science Xi'an Jiaotong University Xi'an 710049 China Science and Technology on Plasma Physics Laboratory Laser Fusion Research Center China Academy of Engineering Physics Mianyang 621900 China Advanced Materials Testing Technology Research Center Shenzhen University of Technology Shenzhen 518118 China Institute of Applied Physics and Computational Mathematics Beijing 100094 China Graduate School China Academy of Engineering Physics Beijing 100088 China Institute of Modern Physics Chinese Academy of Sciences Lanzhou 710049 China

The equilibrium charge state distribution of laser-accelerated carbon ions traversing a tri-cellulose-acetate (TCA, C9H16O8) foam target was measured experimentally. The ions were generated through the target normal sheath acceleration mechanism. This allowed us to obtain the equilibrium charge state for a wide energy range near the maximum energy loss within a single laser shot. The foam had a porous structure with 2 mg/cm3 volume density, which is between the typical density of gas- and solid-state matter. We found that the measured average equilibrium charge states were significantly underestimated by theoretical models applicable for gas targets, while were in close agreement with both semiempirical formulas and rate equation predictions based on ion-solid interactions. The solid-density fiber filaments in the current foam structure were attributed and demonstrated. The target density effects, which increase the ionization probability through frequent collisions and decrease the electron capture probability, were proven to play an important role in the foam target. Since the foam targets are widely used in laser plasma interaction experiments, our findings are relevant for a broad range of applications.

关键词： Atomic & molecular collisions Beam dynamics Beam injection, extraction & transport Lasers Ions Low- & intermediate-energy accelerators Atomic Properties Ab initio molecular dynamics Bragg spectroscopy Inner-shell processes

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DPA-2:a large atomic model as a multitask learner

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npj computational Materials 2024年第1期10卷 185-199页

作者： Duo Zhang Xinzijian Liu Xiangyu Zhang Chengqian Zhang Chun Cai Hangrui Bi Yiming Du Xuejian Qin Anyang Peng Jiameng Huang Bowen Li Yifan Shan Jinzhe Zeng Yuzhi Zhang Siyuan Liu Yifan Li Junhan Chang Xinyan Wang Shuo Zhou Jianchuan Liu Xiaoshan Luo Zhenyu Wang Wanrun Jiang Jing Wu Yudi Yang Jiyuan Yang Manyi Yang Fu-Qiang Gong Linshuang Zhang Mengchao Shi Fu-Zhi Dai Darrin M.York Shi Liu Tong Zhu Zhicheng Zhong Jian Lv Jun Cheng Weile Jia Mohan Chen Guolin Ke Weinan E Linfeng Zhang Han Wang AI for Science Institute BeijingP.R.China DP Technology BeijingP.R.China Academy for Advanced Interdisciplinary Studies Peking UniversityBeijingP.R.China State Key Lab of Processors Institute of Computing TechnologyChinese Academy of SciencesBeijingP.R.China University of Chinese Academy of Sciences BeijingP.R.China HEDPS CAPTCollege of EngineeringPeking UniversityBeijingP.R.China Ningbo Institute of Materials Technology and Engineering Chinese Academy of SciencesNingboP.R.China CAS Key Laboratory of Magnetic Materials and Devices and Zhejiang Province Key Laboratory of Magnetic Materials and Application Technology Chinese Academy of SciencesNingboP.R.China School of Electronics Engineering and Computer Science Peking UniversityBeijingP.R.China Shanghai Engineering Research Center of Molecular Therapeutics&New Drug Development School of Chemistry and Molecular EngineeringEast China Normal UniversityShanghaiP.R.China Laboratory for Biomolecular Simulation Research Institute for Quantitative Biomedicine and Department of Chemistry and Chemical BiologyRutgers UniversityPiscatawayNJUSA Department of Chemistry Princeton UniversityPrincetonNJUSA College of Chemistry and Molecular Engineering Peking UniversityBeijingP.R.China Yuanpei College Peking UniversityBeijingP.R.China School of Electrical Engineering and Electronic Information Xihua UniversityChengduP.R.China State Key Laboratory of Superhard Materials College of PhysicsJilin UniversityChangchunP.R.China Key Laboratory of Material Simulation Methods&Software of Ministry of Education College of PhysicsJilin UniversityChangchunP.R.China International Center of Future Science Jilin UniversityChangchunP.R.China Key Laboratory for Quantum Materialsof Zhejiang Province Department of PhysicsSchool of ScienceWestlake UniversityHangzhouP.R.China Atomistic Simulations Italian Institute of TechnologyGenovaItaly State Key Laboratory of Physical Chemistry of Solid Surface iChEMCollege of Chemistry and Chemical EngineeringXiame

The rapid advancements in artificial intelligence(AI)are catalyzing transformative changes in atomic modeling,simulation,and ***-driven potential energy models havedemonstrated the capability to conduct large-scale,long-duration simulations with the accuracy of ab initio electronic structure ***,the model generation process remains a bottleneck for large-scale *** propose a shift towards a model-centric ecosystem,wherein a large atomic model(LAM),pretrained across multiple disciplines,can be efficiently fine-tuned and distilled for various downstream tasks,thereby establishing a new framework for molecular *** this study,we introduce the DPA-2 architecture as a prototype for ***-trained on a diverse array of chemical and materials systemsusing a multi-task approach,DPA-2demonstrates superior generalization capabilities across multiple downstream tasks compared to the traditional single-task pre-training and fine-tuning *** approach sets the stage for the development and broad application of LAMs in molecular and materials simulation research.

关键词： DPA establishing thereby

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CuSx-mediated two reaction systems enable biomimetic photocatalysis in CO_(2) reduction with visible light

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Journal of Energy Chemistry 2022年第2期31卷 497-504页

作者： Ling-Xiang Wang Zhi-Qiang Wang Liang Wang Zhiyuan Yang Qiuyan Zhu Yifeng Liu Wei Fang Xue-Qing Gong Yuefeng Liu Xiaolong Liu Feng-Shou Xiao Key Laboratory of Applied Chemistry of Zhejiang Province Department of ChemistryZhejiang UniversityHangzhou 310028ZhejiangChina Key Lab of Biomass Chemical Engineering of Ministry of Education College of Chemical and Biological EngineeringZhejiang UniversityHangzhou 310027ZhejiangChina Key Laboratory for Advanced Materials and Joint International Research Laboratory for Precision Chemistry and Molecular Engineering Feringa Nobel Prize Scientist Joint Research CenterCentre for Computational Chemistry and Research Institute of Industrial CatalysisSchool of Chemistry and Molecular EngineeringEast China University of Science and TechnologyShanghai 200237China Dalian National Laboratory for Clean Energy(DNL) Dalian Institute of Chemical Physics(DICP)Chinese Academy of ScienceDalian 116023LiaoningChina State Key Laboratory of Optoelectronic Materials and Technologies School of MaterialsSun Yat-Sen UniversityGuangzhou 510275GuangdongChina

The performances of heterogeneous catalysts can be effectively improved by optimizing the catalysts via appropriate structure ***,we show that the catalysis of cuprous sulfide can be boosted by constructing the hybrid structure with Cu_(2)S nanoparticles on amorphous CuSx matrix(Cu_(2)S/CuSx).In the photocatalytic CO_(2) reduction under visible light irradiation,the Cu_(2)S/CuSx exhibited a CO production rate at 4.0μmol h-1 that is 12-fold higher than that of the general Cu_(2)S *** characterizations reveal that the Cu_(2)S/CuSx has two reaction systems that realize the biomimetic catalysis,involving in the light reaction on the Cu_(2)S nanoparticle-CuSx matrix heterojunctions for proton/electron production,and the dark reaction on the defect-rich CuSx for CO_(2) *** CuSx matrix could efficiently activate CO_(2) and stabilize the split hydrogen species to hinder undesired hydrogen evolution reaction,which benefits the proton-electron transfer to reduce CO_(2),a key step for bridging the two reaction systems.

关键词： CO_(2) Photoreduction Bifunctional catalyst Proton-coupled electron transfer

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The Engagement of Hybrid Ultra High Space Division Multiplexing with Maximum Time Division Multiplexing Techniques for High-Speed Single-Mode Fiber Cable Systems

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Journal of Optical Communications 2022年第2期43卷 219-223页

作者： Amiri, I.S. Kuppusamy, P.G. Rashed, Ahmed Nabih Zaki Jayarajan, P. Thiyagupriyadharsan, M.R. Yupapin, P. Computational Optics Research Group Advanced Institute of Materials Science Ton Duc Thang University Ho Chi Minh City700000 Viet Nam Faculty of Applied Sciences Ton Duc Thang University Ho Chi Minh City700000 Viet Nam Department of ECE Siddharth Institute of Engineering and Technology Andhra Pradesh Puttur India Electronics and Electrical Communications Engineering Department Menoufia University Faculty of Electronic Engineering menoufia Menouf32951 Egypt Department of ECE Sri Krishna College of Technology Kovaipudur Coimbatore India

High-speed single-mode fiber-optic communication systems have been presented based on various hybrid multiplexing schemes. Refractive index step and silica-doped germanium percentage parameters are also preserved during their technological boundaries of attention. It is noticed that the connect design parameters suffer more nonlinearity with the number of connects. Two different propagation techniques have been used to investigate the transmitted data rates as a criterion to enhance system performance. The first technique is soliton propagation, where the control parameters lead to equilibrium between the pulse spreading due to dispersion and the pulse shrinking because of nonlinearity. The second technique is the MTDM technique where the parameters are adjusted to lead to minimum dispersion. Two cases are investigated: no dispersion cancellation and dispersion cancellation. The investigations are conducted over an enormous range of the set of control parameters. Thermal effects are considered through three basic quantities, namely the transmission data rates, the dispersion characteristics, and the spectral losses. © 2019 Walter de Gruyter GmbH, Berlin/Boston.

关键词： Single mode fibers

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Improvement on hydrogen generation properties of Zr（BH4）4·8NH3

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Progress in Natural science:Materials International 2021年第1期31卷 41-46页

作者： D.F.Wu L.Z.Ouyang J.M.Huang J.W.Liu H.Wang X.S.Yang H.Shao M.Zhu School of Materials Science and Engineering Guangdong Provincial Key Laboratory of Advanced Energy Storage Materials South China University of Technology Guangdong Research Institute of Rare Metals Guangdong Key Laboratory of Rare Earth Development and Application China-Australia Joint Laboratory for Energy & Environmental Materials Key Laboratory of Fuel Cell Technology of Guangdong Province Advanced Manufacturing Technology Research Centre Department of Industrial and Systems Engineering The Hong Kong Polytechnic University Joint Key Laboratory of the Ministry of Education Institute of Applied Physics and Materials Engineering (IAPME) University of Macau

Hydrolysis of Zr（BH4）4·8NH3in deionized water can generate high purity hydrogen at room ***, the sluggish hydrolysis kinetics of Zr（BH4）4·8NH3hinders its practical use. To improve its hydrogen generation properties, the effects of magnetic stirring, changing hydrolysis solution and tuning the ammonia coordination number on the hydrolysis properties of Zr（BH4）4·8NH3were investigated. Results show that both changing hydrolysis solution and tuning the ammonia coordination number can enhance the hydrolysis *** hydrolysis kinetics properties of Zr（BH4）4·8NH3were significantly improved in MgCl2and *** Zr（BH4）4·8NH3（x ≤ 8） samples were synthesized by a ball-milling method with different ammonization time（10, 60 and 180 min）. Both the hydrolysis kinetics and hydrogen yield of Zr（BH4）4·8NH3（x ≤ 8） were enhanced as the ammonia coordination number（x） decreased. Thus, tuning ammonia coordination number is an effective way to control the hydrolysis properties of Zr（BH4）4·8NH3（x ≤ 8）.

关键词： Hydrogen production Zr(BH4)4·8NH3 Hydrolysis properties Ammonia coordination number

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