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Tailoring the separation performance of a carbon nanotube-based mixed matrix membrane decorated with metal–organic framework

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Chinese Journal of Chemical Engineering 2023年第12期64卷 87-95页

作者： Hui-Yong Wu Hong-Xin Fu Yu Liu Xiao-sa Zhang Wen-ze Li Jian Luan College of Science Shenyang University of Chemical TechnologyShenyang 110142China College of Sciences Northeastern UniversityShenyang 110819China

Synthesis of mixed matrix membranes(MMM)using carbon nanotubes(CNTs)has shown great prospects for achieving excellent selective separation because of its special ***,the preparation of highly selective MMM faces challenges,which is attributed to the obstacles encountered by CNTs dispersion in polymer matrix and elimination of interface defects.A novel CNT-based composite decorated with metal–organic framework(MOF)was synthesized and applied to the preparation of *** was post modified,and then carboxyl groups were inserted on the outer surface of *** synthetic MMM(Cu-MOF-en@MWCNT)not only has selective adsorption on dyes,but also has selective photodegradation on *** method of using CNTs to wrap the outside of MOF has great potential in dye *** performance of MMM was further improved by decorating MOF on the filler to improve the selectivity to the designated dye.

关键词： Composites Carbon nanotube Metal-organic framework Organic crosslinking Selectivity Adsorbents

Present Status of JT-60sa Project and Development of Heating Systems for JT-60sa

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Plasma Science and Technology 2011年第3期13卷 367-375页

作者： Yoshitaka IKEDA JT-60sa Team Japan Atomic Energy Agency 801-1 Mukoyama Naka Ibaraki 311-0193 Japan

Present status of the JT-60sa （JT-60 Super Advanced） project, implemented jointly by Europe and Japan since 2007, is described. The design of the main tokamak components was completed in late 2008, and all the scientific missions are preserved to contribute to ITER and DEMO reactors. The construction of the JT-60sa has begun with procurement activities for the superconducting magnet systems, vacuum vessel, in-vessel components and other components under the relevant procurement arrangements between the implementing agencies of JAEA （Japan Atomic Energy Agency） in Japan and Fusion for Energy in Europe. Designs and developments of the auxiliary heating systems for JT-60sa have been progressing at JAEA so as to provide the total injection power of 41 MW for 100 s.

关键词： JT-60sa ITER DEMO JAEA heating systems

A　NEW　INGENOL　ESTER　FROM　EUPHORBIA　PETIOLATA

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Chinese Chemical Letters 1996年第5期7卷 439-440页

作者： Shi, YP ma, B Jia, ZJ Lahham, J saleh, sa LANZHOU UNIV INST ORGAN CHEMSTATE KEY LAB APPL ORGAN CHEMLANZHOU 730000PEOPLES R CHINA

Abstract: A new monoester of the tetracyclic diterpene ingenol was isolated from Euphorbia petiolata and its structure was elucidated by spectroscopic methods and chemical transformationas ingenol-3-O-(2'E, 4'Z)-tetra...

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Effect of rare-earth doping on adsorption of carbon atom on ferrum surface and in ferrum subsurface:A first-principles study

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Journal of Rare Earths 2021年第9期39卷 1144-1150页

作者： Yang Yang Xiang Zhou Faqing Pan Zuju ma Rongjian sa Jun Zheng Qimin Wang Key Laboratory of Green Fabrication and Surface Technology of Advanced Metal materials(Ministry of Education) Research Center of Modem Surface and Interface EngineeringAnhui University of TechnologyMaanshan 243002China School of materials Science and Engineering Anhui University of TechnologyMaanshan 243002China Institute of Oceanography Ocean CollegeMinjiang UniversityFuzhou 350108China School of Electromechanical Engineering Guangdong University of TechnologyGuangzhou 510006China

The adsorption of carbon atom on Fe surface and in Fe subsurface with and without rare earth(La and Ce)substitution in the surface layer and subsurface layer was studied by first-principles *** carbon atom is predicted to adsorb at hollow and long bridge site on Fe(100)and Fe(110),***,the carbon atom shifts to occupy preferentially hollow site on both Fe(100)and Fe(110)with rare earth atom doping at surface *** lower adsorption energies involved with stronger adsorption abilities were obtained for carbon atoms on Fe surface with rare earth doping at surface layer,which was determined by the electronic structure of the surface *** La atom was pulled out the surface after carbon adsorption due to strong interaction of La-C,which is consistent with the more charge *** the subsurface region,the carbon atom prefers to occupy at octahedral site with rare earth doping at surface layer in Fe *** strong adsorption energies of the carbon atoms on Fe surface and in Fe subsurface with rare earth pose relevant insights into the interaction between carbon and rare earth,which helps to understanding the influence mechanism of rare earth in carburizing.

关键词： Carburizing Rare earth First-principles Adsorption energy Electronic structure

Compensation trends of the angulation of first molars:retrospective study of 1403 malocclusion cases

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International Journal of Oral Science 2014年第3期6卷 175-181页

作者： Hong Su Bing Han sa Li Bin Na Wen ma Tian-Min Xu Department of Orthodontics School and Hospital of Stomatology Peking University Department of Stomatology Shenzhen People’s Hospital Graduate from School and Hospital of Stomatology Peking University Arrail International Dental Clinic

We investigated the compensatory trends of mesiodistal angulation of first molars in malocclusion cases. We compared differences in the angulation of first molars in different developmental stages, malocclusion classifications and skeletal patterns. The medical records and lateral cephalogrammes of 1 403 malocclusion cases taken before treatment were measured to evaluate compensation of molar angulation in relation to the skeletal jaw. The cases were stratified by age, Angle classification and skeletal patterns. Differences in the mesiodistal angulation of the first molars were compared among the stratifications. We observed three main phenomena. First,angulation of the upper first molar varied significantly with age and tipped most distally in cases aged,12 years and least distally in cases aged.16 years. The lower first molar did not show such differences. Second, in Angle Class II or skeletal Class II cases, the upper first molar was the most distally tipped, the lower first molar was the most mesially tipped, and opposite angulation compensation was observed in Class III cases. Third, in high-angle cases, the upper and lower first molars were the most distally tipped, and opposite angulation compensation was observed in low-angle cases. These data suggest that the angulation of the molars compensated for various growth patterns and malocclusion types. Hence, awareness of molar angulation compensation would help to adjust occlusal relationships, control anchorage and increase the chances of long-term stability.

关键词： Angle classification angulation compensation first molar growth stages malocclusion sagittal skeletal patterns verticalskeletal patterns

Enhancing hydrogen evolution of MoS_(2) basal planes by combining single-boron catalyst and compressive strain

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Frontiers of physics 2020年第6期15卷 1-12页

作者： Zhitao Cui Wei Du Chengwei Xiao Qiaohong Li Rongjian sa Chenghua Sun Zuju ma School of Environmental and materials Engineering Yantai UniversityYantai 264005China School of materials Science and Engineering Anhui University of TechnologyMaanshan 243002China State Key Laboratory of Structural Chemistry Fujian Institute of Research on the Structure of MatterChinese Academy of SciencesFuzhou 350002China Institute of Oceanography Ocean CollegeMinjiang UniversityFuzhou 350108China Department of Chemistry and Biotechnology Faculty of ScienceEngineering&TechnologySwinburne University of TechnologyHawthornVIC 3122Australia

M0 S2 is a promising candidate for hydrogen evolution reaction(HER),while its active sites are mainly distributed on the edge sites rather than the basal plane ***,a strategy to overcome the inertness of the M0 S2 basal surface and achieve high HER activity by combining single-boron catalyst and compressive strain was reported through density functional theory(DFT)*** ab initio molecular dynamics(AIMD)simulation on B@MoS2 suggests high thermodynamic and kinetic *** found that the rather strong adsorption of hydrogen by B@MoS2 can be alleviated by stress *** optimal stress of -7%can achieve a nearly zero value of △Gh(〜-0.084 eV),which is close to that of the ideal Pt-saCs for *** novel HER activity is attributed to(i)the Bdoping brings the active site to the basal plane of M0 S2 and reduces the band-gap,thereby increasing the conductivity;(ii)the compressive stress regulates the number of charge transfer between(H)-(B)-(MoS2),weakening the adsorption energy of hydrogen on B@***,we constructed a SiN/B@MoS2 heterojunction,which introduces an 8.6%compressive stress for B@MoS2 and yields an ideal AGh-This work provides an effective means to achieve high intrinsic HER activity for M0 S2.

关键词： M0S2 stress engineering single-atom catalyst HER charge transfer DFT heteroj unctions

An interpretable machine learning strategy for pursuing high piezoelectric coefficients in (K_(0.5)Na_(0.5))NbO_(3)-based ceramics

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npj Computational materials 2023年第1期9卷 1-11页

作者： Bowen ma Xiao Wu Chunlin Zhao Cong Lin Min Gao Baisheng sa Zhimei Sun College of materials Science and Engineering Fuzhou UniversityFuzhou 350108China School of materials Science and Engineering Beihang UniversityBeijing 100191China

Perovskite-type lead-free piezoelectric ceramics allow access to illustrious piezoelectric coefficients(d33)through intricate composition design and experimental *** a swift and accurate technology for identifying(K,Na)NbO_(3)(KNN)-based ceramic compositions with high d33 in exceedingly large“compositional”space will establish an innovative research paradigm surpassing the traditional empirical trial-and-error ***,we demonstrate an interpretable machine learning(ML)framework for quick evaluation of KNN-based ceramics with high d33 based on data from published ***,a thorough feature construction was carried out from the global and local dimensions to establish tree regression models with d33 as the target ***,the feature-property mapping rules of KNN-based piezoelectric ceramics are further optimized through feature *** intuitively understand the correlation mechanisms between ML regression targets and features,the sure independence screening and sparsifying operator(SISSO)method was employed to extract the essential descriptors to explain d33.A straightforward descriptor,e^((NMB-MVB))·ST=(IDA)^(2),consisting of only four easily accessible parameters,can accelerate the evaluation of a series of novel KNN-based ceramics with high d33 while exhibiting strong theoretical *** work not only provides a tool for the rapid discovery of high piezoelectric performance in KNN-based ceramics but also offers a data-driven route for the design of property descriptors in perovskites.

关键词： ceramics ceramic piezoelectric

A Case for Adaptive Resource management in Alibaba Datacenter Using Neural Networks

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Journal of Computer Science & Technology 2020年第1期35卷 209-220页

作者： sa Wang Yan-Hai Zhu Shan-Pei Chen Tian-ze Wu Wen-Jie Li Xu-Sheng Zhan Hai-Yang Ding Wei-Song Shi Yun-Gang Bao State Key Laboratory of Computer Architecture Institute of Computing TechnologyChinese Academy of Sciences Beijing 100190China University of Chinese Academy of Sciences Beijing 100049China Peng Cheng Laboratory Shenzhen 518055China Alibaba Inc. Hangzhou 311121China Department of Computer Science Wayne State UniversityMichiganMI 48202U.S.A

Both resource efficiency and application QoS have been big concerns of datacenter operators for a long time,but remain to be *** resource utilization increases the risk of resource contention between co-located workload,which makes latency-critical(LC)applications suffer unpredictable,and even unacceptable *** of prior work devotes the effort on exploiting effective mechanisms to protect the QoS of LC applications while improving resource *** this paper,we propose maGI,a resource management runtime that leverages neural networks to monitor and further pinpoint the root cause of performance interference,and adjusts resource shares of corresponding applications to ensure the QoS of LC *** is a practice in Alibaba datacenter to provide on-demand resource adjustment for applications using neural *** experimental results show that maGI could reduce up to 87.3%performance degradation of LC application when co-located with other antagonist applications.

关键词： resource management neural network resource efficiency tail latency

TM_(3)(TM=V,Fe,Mo,W)single-cluster catalyst confined on porous BN for electrocatalytic nitrogen reduction

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Journal of materials Science & Technology 2022年第13期108卷 46-53页

作者： Shuaishuai Gao Zuju ma Chengwei Xiao Zhitao Cui Wei Du Xueqin Sun Qiaohong Li Rongjian sa Chenghua Sun School of Environmental and materials Engineering Yantai UniversityYantai 264005China School of materials Science and Engineering Anhui University of TechnologyMaanshan 243002China State Key Laboratory of Structural Chemistry Fujian Institute of Research on the Structure of MatterChinese Academy of SciencesFuzhou 350002China Institute of Oceanography Ocean CollegeMinjiang UniversityFuzhou 350108China College of Chemical Engineering and Energy Technology Dongguan University of TechnologyDongguan 523808China Department of Chemistry and Biotechnology Faculty of ScienceEngineering&TechnologySwinburne University of TechnologyHawthornVIC 3122Australia

Confined metal clusters as sub-nanometer reactors for electrocatalytic N_(2) reduction reaction(eNRR)have received increasing attention due to the unique metal-metal interaction and higher activity than singleatom ***,the inspiration of the superior capacitance and unique microenvironment with regular surface cavities of the porous boron nitride(p-BN)nanosheets,we systematically studied the catalytic activity for NRR of transition-metal single-clusters in the triplet form(V_(3),Fe_(3),Mo_(3) and W_(3))confined in the surface cavities of the p-BN sheets by spin-polarized density functional theory(DFT)*** a two-step screening strategy,Mo_(3)@p-BN was found to have high catalytic activity and selectivity with a rather low limiting potential(-0.34 V)for the *** anchored Mo_(3) singlecluster can be stably embedded on the surface cavities of the substrate preventing the diffusion of the active Mo *** importantly,the Mo atoms in the Mo_(3) single-cluster would act as“cache”to accelerate electron transfer between active metal centers and nitrogen-containing intermediates via the intimate Mo-Mo *** cooperation of Mo atoms can also provide a large number of occupied and unoccupied d orbitals to make the"donation-backdonation"mechanism more *** work not only provides a quite promising electrocatalyst for NRR,but also brings new insights into the rational design of triple-atom NRR catalysts.

关键词： Electrocatalytic N_(2)reduction Density functional theory Single-cluster Porous boron nitride