检索结果-南通市图书馆

Group VB transition metal dichalcogenides for oxygen reduction reaction and strain-enhanced activity governed by p-orbital electrons of chalcogen

引用

Nano Research 2019年第4期12卷 925-930页

作者： Shuyang Zhao Ke Wang Xiaolong Zou Lin Gan Hongda Du Chengjun Xu Feiyu Kang wenhui duan Jia Li Guangdong Provincial Key Laboratory of Thermal Management Engineering and Materials Graduate School at Shenzhen Tsinghua University Shenzhen 518055 China Shenzhen Geim Graphene Center Division of Energy and Environment Graduate School at Shenzhen Tsinghua University Shenzhen 518055 China Tsinghua-Berkeley Shenzhen Institute (TBSI) Tsinghua University Shenzhen 518055 China Department of Physics and State Key Laboratory of Low-Dimensional Quantum Physics Tsinghua University Beijing 100084 China

Developi ng alter native oxyge n reducti on reactio n (ORR) catalysts to replace precious Pt-based metals with abundant materials is the key challe nge of commercial application of fuel cells. Owing to their various compositi ons and tun able electronic properties, transition metal dichalcogenides (TMDs) have the great potential to realize high-efficiency catalysts for ORR. Here, various 3R-phase dichalcogenides of group VB and VIB transition metals (MX2, M = Nb, Ta, Mo, W;X = S, Se, Te) are investigated for ORR catalysts by using density functional theory calculations. The computed over-potentials of group VB TMDs are much less than those of group VIB TMDs. For group VB TMDs, a volcano-type plot of ORR catalytic activity is established on the adsorption energies of *OH, and NbS2 and TaTe2 exhibit best ORR activity with an oveepotential of 0.54 V. To achieve even better activity, strain engineering is performed to tune ORR catalytic activity, and the minimum over-potential of 0.43 V can be realized. We further dem on strate that the shift of p orbital center of surface chalcoge n elements under strain is responsible for tuning the catalytic activity of TMDs.

关键词： transition metal dichalcogenides fuel cells oxygen reduction reaction strain density functional theory (DFT) calculations

来源：

维普期刊数据库评论

在线全文

维普期刊数据库

学校读者我要写书评

暂无评论

Heterogeneous relational message passing networks for molecular dynamics simulations

引用

npj Computational Materials 2022年第1期8卷 509-517页

作者： Zun Wang Chong Wang Sibo Zhao Yong Xu Shaogang Hao Chang Yu Hsieh Bing-Lin Gu wenhui duan State Key Laboratory of Low Dimensional Quantum Physics and Department of Physics Tsinghua UniversityBeijingChina Tencent Quantum Lab TencentShenzhenGuangdong518057China Department of Physics Carnegie Mellon UniversityPittsburghPAUSA Frontier Science Center for Quantum Information Beijing100084China RIKEN Center for Emergent Matter Science(CEMS) WakoSaitama351-0198Japan Institute for Advanced Study Tsinghua UniversityBeijing100084China

With many frameworks based on message passing neural networks proposed to predict molecular and bulk properties,machine learning methods have tremendously shifted the paradigms of computational sciences underpinning physics,material science,chemistry,and *** existing machine learning models have yielded superior performances in many occasions,most of them model and process molecular systems in terms of homogeneous graph,which severely limits the expressive power for representing diverse *** practice,graph data with multiple node and edge types is ubiquitous and more appropriate for molecular ***,we propose the heterogeneous relational message passing network(HermNet),an end-to-end heterogeneous graph neural networks,to efficiently express multiple interactions in a single model with ab initio *** performs impressively against many top-performing models on both molecular and extended ***,HermNet outperforms other tested models in nearly 75%,83%and 69%of tasks on revised Molecular Dynamics 17(rMD17),Quantum Machines 9(QM9)and extended systems datasets,*** addition,molecular dynamics simulations and material property calculations are performed with HermNet to demonstrate its ***,we elucidate how the design of HermNet is compatible with quantum mechanics from the perspective of the density functional ***,HermNet is a universal framework,whose sub-networks could be replaced by other advanced models.

关键词： theory passing dynamics

来源：

维普期刊数据库评论

在线全文

维普期刊数据库

学校读者我要写书评

暂无评论

Realizing quinary charge states of solitary defects in two-dimensional intermetallic semiconductor

引用

National Science Review 2022年第2期9卷 63-69页

作者： Jian Gou Bingyu Xia Xuguang Wang Peng Cheng Andrew Thye Shen Wee wenhui duan Yong Xu Kehui Wu Lan Chen Institute of Physics Chinese Academy of Sciences School of Physics University of Chinese Academy of Sciences Department of Physics National University of Singapore State Key Laboratory of Low-Dimensional Quantum Physics Department of Physics Tsinghua University Institute for Advanced Study Tsinghua University Collaborative Innovation Center of Quantum Matter RIKEN Center for Emergent Matter Science (CEMS) Songshan Lake Materials Laboratory

Creating and manipulating multiple charge states of solitary defects in semiconductors is of essential importance for solitary defect electronics,but is fundamentally limited by Coulomb’s *** this objective is challenging,due to the conflicting requirements of the localization necessary for the sizable band gap and delocalization necessary for a low charging ***,using scanning tunneling microscopy/spectroscopy experiments and first-principles calculations,we realized exotic quinary charge states of solitary defects in two-dimensional intermetallic semiconductor *** also observed an ultralow defect charging energy that increases sublinearly with charge number rather than displaying the usual quadratic *** work suggests a promising route for constructing multiple defect-charge states by designing intermetallic semiconductors,and opens new opportunities for developing quantum devices with charge-based quantum states.

关键词： 2D materials intermetallic semiconductor tip-induced band bending solitary defect defect charging

来源：

同方期刊数据库评论

在线全文

同方期刊数据库

学校读者我要写书评

暂无评论

Realizing the quantum anomalous Hall effect in materials with in-plane magnetization

引用

National Science Review 2014年第1期1卷 33-33页

作者： Peizhe Tang wenhui duan Department of Physics Tsinghua University

When an electric current lows through a conined two-dimensional(2D)electron gas,which is under an external high magnetic ield(H)along the z direction,the magnetic ield will delect the current.A transverse quantized Hall conductance can then be observed across the *** efect,known as the quantum Hall efect(QHE),was discovered in 1980 by

关键词： Hall

来源：

同方期刊数据库评论

在线全文

同方期刊数据库

学校读者我要写书评

暂无评论

院内心跳骤停复苏成功患者预后的预测因素分析

引用

临床急诊杂志 2024年第6期25卷 304-309页

作者：杨晶段文慧王芳王玮玮王杨周成亚东长治市人民医院重症医学科山西长治046000

目的:探讨中性粒细胞/淋巴细胞比值(neutrophil-lymphocyte ratio,NLR)对院内心跳骤停(in-hospital cardiac arrest,IHCA)患者恢复自主循环(return of spontaneous circulation,ROSC)不良预后的预测价值。方法:采用回顾性分析方法,根据纳入与排除标准收集2021年10月—2023年9月收住长治市人民医院重症医学科的IHCA患者ROSC且住院≥24 h,根据最终结局分为存活组和死亡组。收集患者的一般资料、急性生理学与慢性健康状况评分Ⅱ(acute physiology and chronic health evaluation,APACHEⅡ)及ROSC后24 h内最初实验室指标如白细胞计数(WBC)、中性粒细胞绝对值、淋巴细胞绝对值、酸碱度(PH)、血乳酸(Lac)、白蛋白,计算NLR。比较两组指标,将有统计学意义的指标进行二元多因素logistic回归分析,绘制受试者工作曲线(ROC曲线)进一步评估NLR对疾病预后的预测价值。结果:本研究共纳入137例,存活组47例,死亡组90例,死亡率为65.7%。两组患者年龄、性别、基础疾病、连续性肾脏替代治疗及体外膜肺氧合使用率、心源性、电除颤及肾上腺素(>5 mg)、WBC均差异无统计学意义(P>0.05)。与存活组相比,死亡组心肺复苏时间、中性粒细胞绝对值、NLR、APACHEⅡ、Lac明显升高,而淋巴细胞绝对值、PH、白蛋白水平明显下降,差异有统计学意义(P<0.05)。二元多因素logistic回归分析结果显示:NLR、APACHEⅡ、复苏时间、白蛋白均是ROSC患者预后不良的独立危险因素。ROC曲线分析显示:NLR与APACHEⅡ预测价值相当,其次为复苏时间、白蛋白。曲线下面积(AUC)分别为0.825、0.837、0.774、0.696,当截断值分别为6.16、24.5、18.0、31.15时灵敏度和特异度分别为80.9%和75.6%、77.8%和77.2%、96.7%和53.2%、76.6%和65.6%,且NLR联合复苏时间时AUC更高,为0.891,灵敏度和特异度分别为83.3%和83.0%。结论:对ROSC的IHCA患者预后NLR与APACHEⅡ的预测价值相当,且NLR简单、经济,联合复苏时间预测价值更高,可用于临床治疗决策。

关键词：心跳骤停心肺复苏自主循环恢复中性粒细胞/淋巴细胞比值

来源：

维普期刊数据库评论

在线全文

维普期刊数据库

学校读者我要写书评

暂无评论

Insights into Nano-and Micro-Structured Scaffolds for Advanced Electrochemical Energy Storage

引用

Nano-Micro Letters 2024年第7期16卷 187-230页

作者： Jiajia Qiu Yu duan Shaoyuan Li Huaping Zhao wenhui Ma Weidong Shi Yong Lei Fachgebiet Angewandte Nanophysik Institut Für Physik and IMN MacroNanoTechnische Universit.t Ilmenau98693 IlmenauGermany Key Laboratory of Complex Nonferrous Metal Resources Clean Utilization Faculty of Metallurgical and Energy EngineeringKunming University of Science and TechnologyKunming 650093People’s Republic of China School of Chemistry and Chemical Engineering Jiangsu UniversityZhenjiang 212013People’s Republic of China School of Science and Technology Pu’er UniversityPu’er 665000People’s Republic of China

Adopting a nano-and micro-structuring approach to fully unleashing the genuine potential of electrode active material benefits in-depth understandings and research progress toward higher energy density electrochemical energy stor-age devices at all technology readiness *** to various challenging issues,especially limited stability,nano-and micro-structured(NMS)electrodes undergo fast electrochemical performance *** emerging NMS scaffold design is a pivotal aspect of many electrodes as it endows them with both robustness and electrochemical performance enhancement,even though it only occupies comple-mentary and facilitating components for the main ***,extensive efforts are urgently needed toward optimizing the stereoscopic geometrical design of NMS scaffolds to minimize the volume ratio and maximize their functionality to fulfill the ever-increasing dependency and desire for energy power source *** review will aim at highlighting these NMS scaffold design strategies,summariz-ing their corresponding strengths and challenges,and thereby outlining the potential solutions to resolve these challenges,design principles,and key perspectives for future research in this ***,this review will be one of the earliest reviews from this viewpoint.

关键词： Nano-and micro-structured Interconnected porous Scaffolds Electrode design Electrochemical energy storage

来源：

维普期刊数据库

同方期刊数据库评论

在线全文

学校读者我要写书评

暂无评论

史大卓分型辨治双心疾病经验

引用

山东中医杂志 2024年第4期43卷 410-414页

作者：白艳君李若琪陈浩坤段文慧史大卓(指导) 北京中医药大学北京100029 中国中医科学院西苑医院国家中医心血管病临床医学研究中心北京100091 不详

史大卓教授根据心血管疾病合并的不同精神障碍类型进行分型辨证论治,取得满意疗效。如双心疾病患者表现为焦虑状态者往往因情志因素导致体内气机失调,气血失和,治疗以疏肝解郁、调畅气机、调理气血为主;双心疾病患者表现为抑郁状态者,... 详细信息

史大卓教授根据心血管疾病合并的不同精神障碍类型进行分型辨证论治,取得满意疗效。如双心疾病患者表现为焦虑状态者往往因情志因素导致体内气机失调,气血失和,治疗以疏肝解郁、调畅气机、调理气血为主;双心疾病患者表现为抑郁状态者,多为气虚、阳气不振的表现,治疗除调畅气机外,需补气、补肾。

关键词：双心疾病焦虑抑郁辨证论治史大卓

来源：

维普期刊数据库

同方期刊数据库评论

在线全文

学校读者我要写书评

暂无评论

在线避雷器泄漏电流监测系统的设计

引用

电子技术（上海） 2024年第5期53卷 328-329页

作者：孙兆勇黄海魁侯干朱鋐程段文辉大唐山东发电有限公司新能源分公司山东266555

阐述在线避雷器(MOA)泄漏电流的监测方法和工作原理,分析影响在线监测结果的因素,包括三相相间干扰、谐波干扰、污秽电流和波动电压。提出MOA西林电桥介质损耗测量法的监测方法。

关键词：在线避雷器泄漏电流损耗测量

来源：

维普期刊数据库

同方期刊数据库评论

在线全文

学校读者我要写书评

暂无评论

Electronic structure of molecular beam epitaxy grown 1T’-MoTe2 film and strain effect

引用

Chinese Physics B 2019年第10期28卷 210-214页

作者： Xue Zhou Zeyu Jiang Kenan Zhang Wei Yao Mingzhe Yan Hongyun Zhang wenhui duan Shuyun Zhou State Key Laboratory of Low Dimensional Quantum Physics and Department of Physics Tsinghua UniversityBeijing 100084China Collaborative Innovation Center of Quantum Matter Beijing 100084China

Atomically thin transition metal dichalcogenide films with distorted trigonal(1T') phase have been predicted to be candidates for realizing quantum spin Hall effect. Growth of 1T' film and experimental investigation of its electronic structure are critical. Here we report the electronic structure of 1T'-MoTe2 films grown by molecular beam epitaxy(MBE).Growth of the 1T'-MoTe2 film depends critically on the substrate temperature, and successful growth of the film is indicated by streaky stripes in the reflection high energy electron diffraction(RHEED) and sharp diffraction spots in the low energy electron diffraction(LEED). Angle-resolved photoemission spectroscopy(ARPES) measurements reveal a metallic behavior in the as-grown film with an overlap between the conduction and valence bands. First principles calculation suggests that a suitable tensile strain along the a-axis direction is needed to induce a gap to make it an insulator. Our work not only reports the electronic structure of MBE grown 1T'-MoTe2 films, but also provides insights for strain engineering to make it possible for quantum spin Hall effect.

关键词： quantum spin Hall effect 1T'-MoTe2 molecular beam epitaxy(MBE) transition metal dichalcogenides(TMDCs)

来源：

维普期刊数据库

同方期刊数据库评论

在线全文

学校读者我要写书评

暂无评论

Ab initio artificial intelligence:Future research of Materials Genome Initiative

引用

Materials Genome Engineering Advances 2023年第2期1卷 25-30页

作者： He Li Yong Xu wenhui duan State Key Laboratory of Low Dimensional Quantum Physics and Department of Physics Tsinghua UniversityBeijingChina Institute for Advanced Study Tsinghua UniversityBeijingChina Frontier Science Center for Quantum Information BeijingChina RIKEN Center for Emergent Matter Science(CEMS) WakoSaitamaJapan

The marriage of artificial intelligence(AI)and Materials Genome Initiative(MGI)could profoundly change the landscape of modern materials research,leading to a new paradigm of data-driven and AI-driven materials *** this perspective,we will give an overview on the central role of AI in the MGI *** particular,an emerging research field of ab initio AI,which applies state-of-the-art AI techniques to help solve bottleneck problems of ab initio computation,will be *** development of ab initio AI will greatly accelerate highthroughput computation,promote the construction of large materials database,and open new opportunities for future research of MGI.

关键词： ab initio methods artificial intelligence Materials Genome Initiative

来源：

维普期刊数据库评论

在线全文

维普期刊数据库

学校读者我要写书评

暂无评论

欢迎您,

建议与咨询留下您的常用邮箱和电话号码，以便我们向您反馈解决方案和替代方法

时间限定

文献类型

馆藏选择

核心期刊

语言

文献类型

帮助

文字说明：

检索规则说明：

检索范例：

分类表

所选分类

限定检索结果

文献类型

馆藏范围

日期分布

学科分类号

主题

机构

作者

语言

在线全文

在线全文

在线全文

在线全文

在线全文

在线全文

在线全文

在线全文

在线全文

在线全文

请选择保存的检索档案：

请选择收藏分类：

通借通还

欢迎您,

建议与咨询 留下您的常用邮箱和电话号码，以便我们向您反馈解决方案和替代方法

时间限定

文献类型

馆藏选择

核心期刊

语言

文献类型

帮助

文字说明：

检索规则说明：

检索范例：

分类表

所选分类

限定检索结果

文献类型

馆藏范围

日期分布

学科分类号

主题

机构

作者

语言

在线全文

在线全文

在线全文

在线全文

在线全文

在线全文

在线全文

在线全文

在线全文

在线全文

请选择保存的检索档案： 新增检索档案 确定 取消

请选择收藏分类： 新增自定义分类 确定 取消

通借通还

建议与咨询留下您的常用邮箱和电话号码，以便我们向您反馈解决方案和替代方法

请选择保存的检索档案：

请选择收藏分类：