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Literature classification and its applications in condensed matter physics and materials science by natural language processing

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Chinese physics B 2024年第5期33卷 117-123页

作者：吴思远朱天念涂思佳肖睿娟袁洁吴泉生李泓翁红明 Institute of physics Chinese Academy of SciencesBeijing 100190China School of Physical Sciences University of Chinese Academy of SciencesBeijing 100190China College of materials Science and Optoelectronic Technology University of Chinese Academy of SciencesBeijing 100049China Condensed Matter physics Data Center of Chinese Academy of Sciences Beijing 100190China

The exponential growth of literature is constraining researchers’access to comprehensive information in related *** natural language processing(NLP)may offer an effective solution to literature classification,it remains hindered by the lack of labelled *** this article,we introduce a novel method for generating literature classification models through semi-supervised learning,which can generate labelled dataset iteratively with limited human *** apply this method to train NLP models for classifying literatures related to several research directions,i.e.,battery,superconductor,topological material,and artificial intelligence(AI)in materials *** trained NLP‘battery’model applied on a larger dataset different from the training and testing dataset can achieve F1 score of 0.738,which indicates the accuracy and reliability of this ***,our approach demonstrates that even with insufficient data,the not-well-trained model in the first few cycles can identify the relationships among different research fields and facilitate the discovery and understanding of interdisciplinary directions.

关键词： natural language processing text mining materials science

Deep insight of unique phase transition behaviors and mechanism in Zr_(2)Co-H isotope system with ultra-low equilibrium pressure

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Rare Metals 2024年第1期43卷 212-224页

作者： Yang Liu Pan-Pan Zhou Xue-Zhang Xiao Jia-Cheng Qi Jia-Peng Bi Tiao Ying Xing-Wen Feng Yan Shi Wen-Hua Luo Li-Xin Chen State Key Laboratory of Silicon materials School of Materials Science and EngineeringZhejiang UniversityHangzhou 310027China Institute of materials China Academy of Engineering PhysicsMianyang 621907China Key Laboratory of Advanced materials and applications for Batteries of Zhejiang Province Hangzhou 310013China

Efficient capture,safe storage and release of tritium from the international thermonuclear experimental reactor(ITER) reaction exhaust gas is a perplexing problem,and the development of an efficient tritium-getter material with ultra-low hydrogenation equilibrium pressure is considered as a reliable *** this work,Zr_(2)Co alloy was selected as a tritium-getter material and prepared through induction levitation *** performance test results show that Zr_(2)Co exhibits an ultra-low hydrogenation equilibrium pressure of 3.22 × 10^(-6) Pa at 25℃ and excellent hydriding kinetics under a low hydrogen pressure of 0.005 ***,unique phase transition behaviors were presented in Zr_(2)Co-H ***,Zr_(2)CoH_(5) formed by Zr_(2)Co hydrogenated at room temperature is initially decomposed into ZrH_(2) and ZrCoH_(3) at200 ℃.With the temperature increasing to 350 ℃,ZrCoH_(3)is dehydrogenated to ZrCo,and then ZrCo further reacts with ZrH_(2) at 650 ℃ to reform Zr_(2)Co and *** the staged phase transition pathways during dehydrogenation,the decomposition of Zr_(2)CoH_(5) occurs preferentially,which is well accordance with both the smallest reaction energy barrier and the maximum reaction spontaneity that are determined respectively from kinetics activation energy and thermodynamics Gibbs free ***,first principles calculation results indicate that the stronger binding of hydrogen in interstitial environments of ZrCoH_(3)and ZrH_(2) triggers the hydrogen-stabilized phase transformation of Zr_(2)CoH_(5).The unique phase transition mechanisms in Zr_(2)Co-H system can shed light on the further exploration and regulation of analogous staged phase transition of hydrogen storage materials.

关键词： Zr_(2)Co alloy Tritium-getter materials Ultralow equilibrium hydrogen pressure Phase transition mechanism

Core-Shell Semiconductor-Graphene Nanoarchitectures for Efficient Photocatalysis:State of the Art and Perspectives

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Nano-Micro Letters 2024年第12期16卷 553-588页

作者： Jinshen Lan Shanzhi Qu Xiaofang Ye Yifan Zheng Mengwei Ma Shengshi Guo Shengli Huang Shuping Li Junyong Kang Engineering Research Center of Micro-Nano Optoelectronic materials and Devices Ministry of EducationFujian Key Laboratory of Semiconductor Materials and ApplicationsCI Center for OSEDDepartment of PhysicsXiamen UniversityXiamen 361005People’s Republic of China

Semiconductor photocatalysis holds great promise for renewable energy generation and environment remediation,but generally suffers from the serious drawbacks on light absorption,charge generation and transport,and structural stability that limit the *** core-shell semiconductorgraphene(CSSG)nanoarchitectures may address these issues due to their unique structures with exceptional physical and chemical *** review explores recent advances of the CSSG nanoarchitectures in the photocatalytic *** starts with the classification of the CSSG nanoarchitectures by the ***,the construction methods under internal and external driving forces were introduced and compared with each ***,the physicochemical properties and photocatalytic applications of these nanoarchitectures were discussed,with a focus on their role in *** ends with a summary and some perspectives on future development of the CSSG nanoarchitectures toward highly efficient photocatalysts with extensive *** harnessing the synergistic capabilities of the CSSG architectures,we aim to address pressing environmental and energy challenges and drive scientific progress in these fields.

关键词： Core-shell semiconductor-graphene Nanoarchitecture Photocatalysis Driving force Interface

One-step hydrothermal synthesis of few-layered metallic phase MoS2 for high-performance supercapacitors

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Progress in Natural Science:materials International 2024年第2期34卷 429-436页

作者： Jing Xu Xulong Yuan Yujie Zhao Shaoqi Rui Qingling Jia Han Li Shun Lu Bing Li Yongxing Zhang Xuebin Zhu Anhui Province Key Laboratory of Pollutant Sensitive materials and Environmental Remediation Anhui Province Key Laboratory of Intelligent Computing and Applications Anhui Province Industrial Generic Technology Research Center for Alumics Materials Huaibei Normal University Chongqing Institute of Green and Intelligent Technology Chinese Academy of Sciences Key Laboratory of materials physics Institute of Solid State Physics HFIPS Chinese Academy of Sciences

In recent years,molybdenum disulfide（MoS2） has gained significant attention in the scientific *** MoS2demonstrates unique properties and potential ***,the synthesis of few-layered and high-purity 1T-MoS2is still a *** this study,we successfully employed a hydrothermal method to synthesize few-layered and high-purity *** purity of the material is controlled by a combination of sodium borohydride and ***,the few-layered 1T-MoS2exhibits exceptional performance as a supercapacitor,including the high specific capacitance(250.3 F g-1at a current density of 1 A g-1) and excellent long-trem cycling stability（90.7 % after 5000 cycles）.Meanwhile,the asymmetric device assembled by 6-FL-1TMoS2and active carbon on carbon cloths exhibits excellent flexibility and high energy and power density(23.1μWh cm-2at 600 μW cm-2,55 μWh cm-2at 12000 μW cm-2).This work provides valuable insights into the synthesis of few-layered and high-purity 1T-MoS2,opening up new avenues for further research and applications.

关键词： 1T-MoS2 Few-layered High-purity One-pot hydrothermal method Supercapacitor

Ferroelectricity Induced by Oxygen Vacancies in Rhombohedral ZrO2 Thin Films

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Energy & Environmental materials 2024年第1期7卷 233-241页

作者： Veniero Lenzi José P.B.Silva physics Center of Minho and Porto Universities (CF-UM-UP) University of Minho Laboratory of physics for materials and Emergent Technologies Lap METUniversity of Minho National Institute of materials physics Department of materials Science and Metallurgy

Rhombohedral phase HfxZr1-xO2（HZO,x from 0 to 1） films are promising for achieving robust ferroelectric polarization without the need for an initial wake-up pre-cycling,as is normally the case for the more commonly ... 详细信息

关键词： charged defects ferroelectric polarization rhombohedral phase stability zirconia

Temperature-adaptive metasurface radiative cooling device with excellent emittance and low solar absorptance for dynamic thermal regulation

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Advanced Photonics 2024年第4期6卷 70-82页

作者： Junlin Yang Qianyi Li Shiqiao Liu Debao Fang Jingyao Zhang Haibo Jin Jingbo Li Beijing Institute of Technology School of Materials Science and Engineering Beijing Key Laboratory of Construction Tailorable Advanced Functional Materials and Green Applications

Passive radiative cooling is a promising passive cooling technology that emits heat to deep space without energy consumption. Nevertheless, the persistent challenge of overcooling in static radiative techniques has raised concerns. Although a desirable solution is suggested based on vanadium dioxide（VO2）in the form of a Fabry–Perot（F–P） resonant cavity, the inherent contradiction between desired high emissivity（ε） and low solar absorptance(αsol) remains a notable limitation. Here, we employed a simple mask-filling technique to develop a temperature-adaptive metasurface radiative cooling device（ATMRD） for dynamic thermal regulation. Simulation and experimental results substantially evidenced that multiple localized polariton resonances were induced by the VO2metasurface, significantly enhancing the thermal emittance of the ATMRDs. The engineered ATMRD achieved an amazing switch of the atmospheric window emittance from 0.13 to 0.85 when the surface temperature exceeds a pre-set transition temperature, accompanied by a commendable αsolof 27.71%. The mechanism of multiple localized polariton resonances is discussed in detail to understand the enhanced performance based on the investigation of the relationship between the metasurface structure and multiple localized polariton resonances. We demonstrate an efficient smart radiative technique achieved by a simple micro/nanoprocess and, most importantly, contribute a valuable reference for the design of radiative devices, which is crucial in various areas such as passive cooling,smart windows, multifunctional electromagnetic response, and space application technologies.

关键词： dynamic radiative cooling emittance metasurface plasmon resonance vanadium dioxide

Synthesis,chemical bonding and reactivity of new medium-sized polyarsenides

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Chinese Chemical Letters 2024年第7期35卷 497-501页

作者： Xu-Hui Yue Xiang-Wen Zhang Hui-Min He Lei Qiao Zhong-Ming Sun State Key Laboratory of Element-Organic Chemistry Tianjin Key Lab for Institution Rare Earth Materials and ApplicationsSchool of Materials Science and EngineeringNankai UniversityTianjin 300350China Department of physics Institute of Computational and Applied PhysicsTaiyuan Normal UniversityJinzhong 030619China

Gaining an understanding of the growth mechanism from single atoms to clusters and bulk materials continues to present a ***,it is important to explore the evolving trends of clusters in the structure and properties during the size *** this work,we report the synthesis and characterization of two medium-sized chain-like polyarsenic anions.[As_(21)]^(3-)represents a trimeric example of polyarsenic anion assembled through oxidative coupling of As_(7)^(3-)*** anion As_(18)^(4-)included in[As_(18)MO_(2)(CO)_(8)]^(4-)is regarded as formed by two realgar-type As_(8)subunits connected by a dinuclear AsAs *** As_(18)cluster was previously predicted by theory,and this is the first time successfully synthesized using wet chemistry ***,small-sized polyarsenides As_(2)^(2-)and As_(10)^(2-)were found in compound[K(18-crown-6)]_(3)[As_(10)]_(0.5)[As_(4){Mo(CO)_(3)}_(2)]_(0.5)·*** these,the former exhibits coordination with metal ***-crystal X-ray diffraction combined with quantum chemical calculations revealed the formation of double bonded As_(2)^(2-)stabilized by metal carbonyl *** work demonstrates a novel synthetic approach for the preparation of new polyarsenides and highlights their intriguing bonding characteristics,laying the foundation for the synthesis of such compounds and paving the way for their potential applications.

关键词： Polyarsenide Zintl anions Chain-like cluster DFT calculations AdNDP

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Primitive functional groups directed distinct photocatalytic performance of imine-linked donor-acceptor covalent organic frameworks

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Nano Research 2024年第6期17卷 4994-5001页

作者： Xitong Ren Jiajie Sun Yusen Li Feng Bai Key Laboratory for Special Functional materials of Ministry of Education National and Local Joint Engineering Research Center for High-Efficiency Display and Lighting TechnologySchool of Materials Science and Engineeringand Collaborative Innovation Center of Nano Functional Materials and ApplicationsHenan UniversityKaifeng 475004China School of physics and Electronics Henan UniversityKaifeng 475004China

The combination of donor-acceptor(D-A)structures presents a viable strategy for fabricating covalent organic frameworks(COFs)with exceptional photocatalytic ***,the selection of functional groups on donor or acceptor building blocks and their effect on the macroscopic properties of COFs are *** this study,we tactfully synthesized a pair of Py-DBT-COFs from the same pyrene(Py)donor and 4,7-diphenylbenzo[c][1,2,5]thiadiazole(DBT)acceptor cores with distinct primitive functional *** primitive functional groups of building units determine the photocatalytic properties of corresponding ***,Py-C-DBT-COF synthesized from Py-4CHO and DBT-2NH_(2)showcases a splendid H_(2)evolution rate as high as 21,377.7μmol/(g·h)(with 5 wt.%Pt)originating from better charge transfer capacity,which is significantly superior to that of Py-N-DBT-COF constructed from Py-4NH_(2)and *** distinct photocatalytic performances of the two COFs are demonstrated to originate from the different charge separation and transfer *** work supplies a new avenue for optimizing the photocatalytic performance of D-A COFs from the perspective of primitive functional group selections.

关键词： covalent organic frameworks functional group donor-acceptor photocatalysis

BaTiO_(3)/p-GaN/Au self-driven UV photodetector with bipolar photocurrent controlled by ferroelectric polarization

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Chinese physics B 2024年第4期33卷 202-207页

作者：韩无双刘可为杨佳霖朱勇学程祯陈星李炳辉刘雷申德振 State Key Laboratory of Luminescence and applications Changchun Institute of OpticsFine Mechanics and PhysicsChinese Academy of SciencesChangchun 130033China Center of materials Science and Optoelectronics Engineering University of Chinese Academy of SciencesBeijing 100049China

Ferroelectric materials are promising candidates for ultraviolet photodetectors due to their ferroelectric *** this work,a BaTiO_(3)/p-GaN/Au hybrid heterojunction-Schottky self-driven ultraviolet photodetector was fabricated with excellent bipolar photoresponse *** 0 V bias,the direction of the photocurrent can be switched by flipping the depolarization field of BaTiO_(3),which allows the performance of photodetectors to be controlled by the ferroelectric ***,a relatively large responsivity and a fast response speed can be also *** particular,when the depolarization field of BaTiO_(3) is in the same direction of the built-in electric field of the Au/p-GaN Schottky junction(up polarized state),the photodetector exhibits a high responsivity of 18 mA/W at 360 nm,and a fast response speed of<40 ms at 0 *** findings pave a new way for the preparation of high-performance photodetectors with bipolar photocurrents.

关键词： ferroelectric effect bipolar self-driven photodetector