检索结果-南通市图书馆

Effect of crystallographic orientations on transport properties of methylthiol-terminated permethyloligosilane molecular junction

在线全文

学校读者我要写书评

暂无评论

Chinese Physics B 2022年第7期31卷 516-523页

作者： ming-lang wang Bo-Han Zhang Wen-Fei Zhang Xin-Yue Tian Guang-Ping Zhang Chuan-Kui wang School of Physics and Electronics Shandong Normal UniversityJinan 250358China

The understanding of the influence of electrode characteristics on charge transport is essential in the field of molecular *** this work,we investigate the electronic transport properties of molecular junctions comprising methylthiolterminated permethyloligosilanes and face-centered crystal Au/Ag electrodes with crystallographic orientations of(111)and(100),based on the ab initio quantum transport *** calculations reveal that the molecular junction conductance is dominated by the electronic coupling between two interfacial metal–S bonding states,which can be tuned by varying the molecular length,metal material of the electrodes,and crystallographic *** the permethyloligosilane backbone elongates,although theσconjugation increases,the decreasing of coupling induced by the increasing number of central Si atoms reduces the junction *** molecular junction conductance of methylthiol-terminated permethyloligosilanes with Au electrodes is higher than that with Ag electrodes with a crystallographic orientation of(111).However,the conductance trend is reversed when the electrode crystallographic orientation varies from(111)to(100),which can be ascribed to the reversal of interfacial coupling between two metal–S interfacial *** findings are conducive to elucidating the mechanism of molecular junctions and improving the transport properties of molecular devices by adjusting the electrode characteristics.

关键词： molecular electronics crystallographic orientations non-equilibrium Green's function

Inuence of Electron Donating Ability on Reverse Intersystem Crossing Rate for One Kind of Thermally Activated Delayed Fluorescence Molecules

在线全文

学校读者我要写书评

暂无评论

Chinese Journal of Chemical Physics 2018年第3期31卷 291-299,367页

作者： ming-lang wang Jian-zhong Fan Li-li Lin Shandong Province Key Laboratory of Medical Physics and Image Processing Technology School of Physics and ElectronicsShandong Normal UniversityJinan 250014China Department of Electronics Peking UniversityBeijing 100871China

First-principles calculations are applied for investigating influence of electron donating ability of donor groups in eight thermally activated delayed fluorescence（TADF） molecules on their geometrical structures and transition properties as well as reverse intersystem crossing（RISC） processes. Results show that the diphenylamine substitution in the donor part can slightly change the bond angle but decrease bond length between donor and acceptor unit except for the lowest triplet state（Ti） of carbazole-xanthone molecule. As the electron donating ability of donor groups is increased, the overlap between the highest occupied molecular orbital（HOMO） and the lowest unoccupied molecular orbital（LUMO） is decreased. As the diphenylamine groups are added in donor part, the delocalization of HOMO is enlarged,which brings a decreased energy gap(△ES1-T1) between the lowest singlet excited state（S1）and T1 state. Furthermore, with the calculated spin-orbit coupling coefficient(HSO), one finds that the larger value of ■ is, the faster the RISC is. The results show that all investigated molecules are promising candidates as TADF molecules. Overall, a wise molecular design strategy for TADF molecules,in which a small △ES1-T1 can be achieved by enlarging the delocalization of frontier molecular orbitals with large separation between HOMO and LUMO, is proposed.

关键词： Thermally activated delayed fluorescence Donating ability Reverse intersystem crossing Spin-orbit coupling

Theoretical design of single-molecule NOR and XNOR logic gates by using transition metal dibenzotetraaza[14]annulenes

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

Chinese Physics B 2020年第6期29卷 411-418页

作者： Zi-Qun wang Fei Tang Mi-Mi Dong ming-lang wang Gui-Chao Hu Jian-Cai Leng Chuan-Kui wang Guang-Ping Zhang Shandong Key Laboratory of Medical Physics and Image Processing&Shandong Provincial Engineering and Technical Center of Light Manipulations School of Physics and ElectronicsShandong Normal UniversityJinan 250358China Department of Physics School of Electronic and Information EngineeringQilu University of Technology (Shandong Academy of Sciences)Jinan 250353China

The idea of replacing traditional silicon-based electronic components with the ones assembled by organic molecules to further scale down the electric circuits has been attracting extensive research *** the molecularly assembled components,the design of molecular logic gates with simple structure and high Boolean computing speed remains a great ***,by using the state-of-the-art nonequilibrium Green’s function theory in conjugation with first-principles method,the spin transport properties of single-molecule junctions comprised of two serially connected transition metal dibenzotetraaza[14]annulenes(TM(DBTAA),TM=Fe,Co)sandwiched between two single-walled carbon nanotube electrodes are theoretically *** numerical results show a close dependence of the spin-resolved current-voltage characteristics on spin configurations between the left and right molecular kernels and the kind of TM atom in TM(DBTAA)*** taking advantage of spin degree of freedom of electrons,NOR or XNOR Boolean logic gates can be realized in Fe(DBTAA)and Co(DBTAA)junctions depending on the definitions of input and output *** work proposes a new kind of molecular logic gates and hence is helpful for further miniaturization of the electric circuits.

关键词： single-molecule junction molecular logic gate spin transport nonequilibrium Green’s function method

Micro-structured lepidocrocite-type H_(1.07)Ti_(1.73)O_(4)as anode for lithium-ion batteries with an ultrahigh rate and long-term cycling performance

在线全文

学校读者我要写书评

暂无评论

Rare Metals 2021年第6期40卷 1391-1401页

作者： Li-Juan Hou Rui-Chao Liu Hui-Yu Yuan De-Zhi Kong Wei-Xia Shen Jin-Hao Zang Juan Guo Shu-Ge Dai ming-lang wang Ting-Ting Xu Xin-Jian Li Ye wang Key Laboratory of Material Physics of Ministry of Education School of Physics and MicroelectronicsZhengzhou UniversityZhengzhou 450052China School of Materials Science and Engineering Zhengzhou UniversityZhengzhou 450052China Key Laboratory of Henan Province for High Temperature Functional Materials Zhengzhou 450000China Shandong Key Laboratory of Medical Physics and Image Processing&Shandong Provincial Engineering and Technical Center of Light Manipulations School of Physics and ElectronicsShandong Normal UniversityJinan 250358China

The lepidocrocite-type H_(1.07)Ti_(1.73)O_(4) microsized structures with a tap density of 0.88 g·cm^(-3) were prepared through the ion exchange method with K_(0.8)Li_(0.27)Ti_(1.73)O_(4) powder as the precursor,and they exhibited good rate performance and outstanding cycle stability as an anode material for lithium ion batteries(LIB).The ion exchange method provides favorable conditions for H_(1.07)Ti_(1.73)O_(4) as an anode electrode material for LIBs.X-ray photoelectron spectroscopy(XPS)result demonstrates the existence of defects in the nonstoichiometric H1.07Ti1.73O4,which have a beneficial effect on the LIB *** electrochemical performance test proves that the half-cell with microsized H_(1.07)Ti_(1.73)O_(4)as the anode electrode can maintain a specific capacity of 129.5 mAh·g^(-1) after 1100 cycles and 101 mAh·g^(-1)after 3000 long cycles at high current densities of 2.0 and 5.0 A·g^(-1),*** addition,the small volume change rate of 3.6%in H_(1.07)Ti_(1.73)O_(4)during Li ion insertion was confirmed by real-time in situ transmission electron microscopy(TEM).The LiFePO_(4)||H_(1.07)Ti_(1.73)O_(4)full battery exhibits a longterm cycling stability with a specific capacity of73.8 mAh·g^(-1) at a current density of 500 mA·g^(-1) after 200 cycles.

关键词： Lepidocrocite-type H_(1.07)Ti_(1.73)O_(4) Anode material of lithium ion batteries Long cycle stability

Low-Bias Conductance Mechanism of Diarylethene Isomers:a First-Principle Study

在线全文

学校读者我要写书评

暂无评论

Chinese Journal of Chemical Physics 2020年第6期33卷 697-702,I0002页

作者： ming-lang wang Guang-ping Zhang Xiao-xiao Fu Chuan-kui wang School of Physics and Electronics Shandong Normal UniversityJinan 250358China

The structure-property relationship of diarylethene(DAE)-derivative molecular isomers,which involve ring-closed and ring-open forms,is investigated by employing the nonequilibrium Green’s function formalism combined with density functional *** junctions are formed by the isomers connecting to Au(111)electrodes through flanked pyridine *** difference in electronic structures caused by different geometry structures for the two isomers,particularly the interatomic alternative single bond and double bond of the ring-closed molecule,contributes to the vastly different low-bias conductance *** lowest unoccupied molecular orbital(LUMO)of the isomers is the main channel for electron *** addition,more electrons transferred to the ring-closed molecular junction in the equilibrium condition,thereby decreasing the LUMO energy to near the Fermi energy,which may contribute to a larger conductance value at the Fermi *** findings are helpful for understanding the mechanism of low-bias conductance and are conducive to the design of high-performance molecular switching based on diarylethene or diarylethene-derivative molecules.

关键词： Molecular electronics Molecular switching Density functional theory Nonequilibrium Green’s function

Turbulent Agglomeration of Microparticles in a Cylinder Wake Flow Using LES-DEM:Focusing on the Effect of the Reynolds Number

在线全文

学校读者我要写书评

暂无评论

Journal of Thermal Science 2025年第1期34卷 34-49页

作者： wang Shuang MU Lin LI Xue XIE Jun DONG ming School of Energy and Power Engineering Dalian University of Technology School of Optical Information and Energy Engineering Wuhan Institute of Technology School of Energy and Environment Shenyang Aerospace University

Turbulent agglomeration is viewed as a promising technology for enhancing fine particle removal *** better understand particle transport,agglomeration behaviors,and fluid-particle interactions,we numerically explored these phenomena under cylindrical vortex wake influence using a coupled large eddy simulation and discrete element method（LES-DEM） *** validity of the LES approach was verified by comparison with available direct numerical simulation（DNS） *** adopted the Johnson-Kendall-Roberts（JKR） contact model for particle-particle *** particle dispersion and agglomeration characteristics of particles with different diameters（dp=2-20 μm） in the laminar and transition of shear layer（TrSL） flow regimes were *** particles were concentrated at the vortex centers,while larger particles accumulated around the *** agglomeration efficiency exhibited an M-shaped profile spanwise（y-direction）.With increasing Reynolds number,the agglomeration efficiency and turbulence intensity *** particle agglomeration efficiency peaks at a certain Reynolds ***,at higher Reynolds numbers,reducing the residence time of particles in the flow field decreases the agglomeration efficiency.

关键词： discrete element method large eddy simulation microparticle particle agglomeration

Unleashing the Potential of Electroactive Hybrid Biomaterials and Self‑Powered Systems for Bone Therapeutics

在线全文

同方期刊数据库

学校读者我要写书评

暂无评论

Nano-Micro Letters 2025年第2期17卷 463-497页

作者： Shichang Liu Farid Manshaii Jinmiao Chen Xinfei wang Shaolei wang Junyi Yin ming Yang Xuxu Chen Xinhua Yin Yunlei Zhou Honghui Hospital Xi’an Jiaotong UniversityXi’an 710018People’s Republic of China Department of Bioengineering Henry Samueli School of Engineering and Applied ScienceUniversity of California Los AngelesLos Angeles 90095USA Hangzhou Institute of Technology Xidian UniversityHangzhou 311231People’s Republic of China

The incidence of large bone defects caused by traumatic injury is increasing worldwide,and the tissue regeneration process requires a long recovery time due to limited self-healing *** bioelectrical phenomena have been well recognized as critical biophysical factors in bone remodeling and *** by bioelectricity,electrical stimulation has been widely considered an external intervention to induce the osteogenic lineage of cells and enhance the synthesis of the extracellular matrix,thereby accelerating bone *** ongoing advances in biomaterials and energy-harvesting techniques,electroactive biomaterials and self-powered systems have been considered biomimetic approaches to ensure functional recovery by recapitulating the natural electrophysiological microenvironment of healthy bone *** this review,we first introduce the role of bioelectricity and the endogenous electric field in bone tissue and summarize different techniques to electrically stimulate cells and ***,we highlight the latest progress in exploring electroactive hybrid biomaterials as well as self-powered systems such as triboelectric and piezoelectric-based nanogenerators and photovoltaic cell-based devices and their implementation in bone tissue ***,we emphasize the significance of simulating the target tissue’s electrophysiological microenvironment and propose the opportunities and challenges faced by electroactive hybrid biomaterials and self-powered bioelectronics for bone repair strategies.

关键词： Electroactive biomaterials Self-powered bioelectronics Bone regeneration Bone tissue

Cortico-striatal gamma oscillations are modulated by dopamine D3 receptors in dyskinetic rats

在线全文

学校读者我要写书评

暂无评论

Neural Regeneration Research 2025年第4期20卷 1164-1177页

作者： Pengfei wang Yuewei Bi Min Li Jiazhi Chen Zhuyong wang Huantao Wen ming Zhou Minjie Luo wangming Zhang Neurosurgery Center Department of Pediatric NeurosurgeryGuangdong Provincial Key Laboratory on Brain Function Repair and RegenerationZhujiang HospitalSouthern Medical UniversityGuangzhouGuangdong ProvinceChina

Long-term levodopa administration can lead to the development of levodopa-induced *** oscillations are a widely recognized hallmark of abnormal neural electrical activity in levodopa-induced ***,studies have reported increased oscillation power in cases of levodopa-induced ***,little is known about how the other electrophysiological parameters of gamma oscillations are altered in levodopa-induced ***,the role of the dopamine D3 receptor,which is implicated in levodopa-induced dyskinesia,in movement disorder-related changes in neural oscillations is *** found that the cortico-striatal functional connectivity of beta oscillations was enhanced in a model of Parkinson’s ***,levodopa application enhanced cortical gamma oscillations in cortico-striatal projections and cortical gamma aperiodic components,as well as bidirectional primary motor cortex(M1)↔dorsolateral striatum gamma *** of PD128907(a selective dopamine D3 receptor agonist)induced dyskinesia and excessive gamma oscillations with a bidirectional M1↔dorsolateral striatum ***,administration of PG01037(a selective dopamine D3 receptor antagonist)attenuated dyskinesia,suppressed gamma oscillations and cortical gamma aperiodic components,and decreased gamma causality in the M1→dorsolateral striatum *** findings suggest that the dopamine D3 receptor plays a role in dyskinesia-related oscillatory activity,and that it has potential as a therapeutic target for levodopa-induced dyskinesia.

关键词： aperiodic components dopamine D3 receptor dorsolateral striatum functional connectivity gamma oscillations levodopa-induced-dyskinesia local field potentials neuromodulation Parkinson’s disease primary motor cortex

MoS_(2)Lubricate‑Toughened MXene/ANF Composites for Multifunctional Electromagnetic Interference Shielding

在线全文

学校读者我要写书评

暂无评论

Nano-Micro Letters 2025年第2期17卷 358-371页

作者： Jiaen wang Wei ming Longfu Chen Tianliang Song Moxi Yele Hao Zhang Long Yang Gegen Sarula Benliang Liang Luting Yan Guangsheng wang School of Physical Science and Engineering Beijing Jiaotong UniversityBeijing 100044People’s Republic of China Key Laboratory of Bio‑Inspired Smart Interfacial Science and Technology of Ministry of Education School of ChemistryBeihang UniversityBeijing 100191People’s Republic of China

The design and fabrication of high toughness electromagnetic interference(EMI)shielding composite films with diminished reflection are an imperative task to solve electromagnetic pollution *** MXene/ANF(aramid nanofibers)–MoS_(2)composite films with nacre-like layered structure here are fabricated after the introduction of MoS_(2)into binary MXene/ANF composite *** introduction of MoS_(2)fulfills an impressive“kill three birds with one stone”improvement effect:lubrication toughening mechanical performance,reduction in secondary reflection pollution of electromagnetic wave,and improvement in the performance of photothermal *** the introduction of MoS_(2)into binary MXene/ANF(mass ratio of 50:50),the strain to failure and tensile strength increase from 22.1±1.7%and 105.7±6.4 MPa and to 25.8±0.7%and 167.3±9.1 MPa,*** toughness elevates from 13.0±4.1 to 26.3±0.8 MJ m^(−3)(~102.3%)*** the reflection shielding effectiveness(SE_(R))of MXene/ANF(mass ratio of 50:50)decreases~10.8%.EMI shielding effectiveness(EMI SE)elevates to 41.0 dB(8.2–12.4 GHz);After the introduction of MoS_(2)into binary MXene/ANF(mass ratio of 60:40),the strain to failure increases from 18.3±1.9%to 28.1±0.7%(~53.5%),the SE_(R)decreases~22.2%,and the corresponding EMI SE is 43.9 *** MoS_(2)also leads to a more efficient photothermal conversion performance(~45 to~55℃).Additionally,MXene/ANF–MoS_(2)composite films exhibit excellent electric heating performance,quick temperature elevation(15 s),excellent cycle stability(2,2.5,and 3 V),and long-term stability(2520 s).Combining with excellent mechanical performance with high MXene content,electric heating performance,and photothermal conversion performance,EMI shielding ternary MXene/ANF–MoS_(2)composite films could be applied in many industrial *** work broadens how to achieve a balance between mechanical properties and versatility of composites in the case of high-function fillers.

关键词： MXene-MoS_(2) Lubrication toughening EMI shielding Photothermal conversion Electric heating performance