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国家重点基础研究发展计划(2011CB921400)

作品数:6 被引量:4H指数:2
相关作者:严以京徐瑞雪许健张厚道胡洁更多>>
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发文基金:国家重点基础研究发展计划国家自然科学基金中国科学院战略性先导科技专项更多>>
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6 条 记 录,以下是 1-6
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Au(111)表面吸附单个八乙基钴卟啉分子的电子态和输运性质调控
2015年
通过低温超高真空扫描隧道显微镜及其谱学方法研究并展示了分子配体在调控表面吸附的单个八乙基钴卟啉(Co OEP)分子的电子态和输运性质中的重要作用.通过单分子剪裁可以脱去该分子外围的甲基,并在中心钴原子的微分电导谱中观察测到d轨道共振到近藤共振的演变.实验结果结合第一性原理的理论计算研究表明,在脱去甲基前后中心钴原子的化学环境和磁矩均未发生显著变化,这一演变可以通过一个简化模型来阐释并被归结为脱去甲基后分子配体与衬底成键改变了体系隧穿参数所导致.此外,实验结果表明Co OEP分子配体的输运性质可受到分子间距离和范德华相互作用的显著调控.在Co OEP低聚体中位于分子之间的乙基被抬高,同时在其微分电导谱谱中0—0.8 V区域内新出现一个强的共振峰.这一新的共振峰表现出等间距的多峰细节,其峰间距与卟啉环和乙基之间的C—C键伸缩模式能量符合.这一新共振峰的出现被归结为由于分子局部与衬底耦合减弱形成双结隧穿体系所导致的振子态隧穿峰.
李竟成赵爱迪王兵
关键词:单分子近藤效应
Chemical Vapour Deposition Graphene Radio-Frequency Field-Effect Transistors被引量:1
2012年
We report the dc and rf performance of graphene rf field-effect transistors,where the graphene films are grown on copper by using the chemical vapour deposition (CVD) method and transferred to SiO2/Si substrates.Composite materials,benzocyclobutene and atomic layer deposition Al2O3 are used as the gate dielectrics.The observation of n- and p-type transitions verifies the ambipolar characteristics in the graphene layers.While the intrinsic carrier mobility of CVD graphene is extracted to be 1200cm2/V·s,the parasitic series resistances are demonstrated to have a serious impact on device performance.With a gate length of 1 μm and an extrinsic transconductance of 72 mS/mm,a cutoff frequency of 6.6 GHz and a maximum oscillation frequency of 8.8 GHz are measured for the transistors,illustrating the potential of the CVD graphene for rf applications.
MA PengJIN ZhiGUO Jian-NanPAN Hong-LiangLIU Xin-YuYE Tian-ChunWANG HongWANG Guan-Zhong
关键词:SIO2/SIVAPOURTRANSFERRED
量子耗散与量子输运的级联方程组方法(英文)被引量:2
2012年
级联方程已成为研究量子开放系统的稳态性质和动力学过程的重要方法。本文旨在系统综述量子耗散和量子输运的级联方程组方法的建立、发展以及在理论、算法和应用方面的一些最新进展。级联方程形式理论的建立以影响泛函路径积分为基础,并具有数值上的高效性和应用上的灵活性,可用于研究分子体系的复杂动力学过程以及强关联电子体系中的量子输运。其级联耦合结构以非微扰的方式揭示了多体相互作用、体系-环境耦合、非马尔可夫记忆等的综合效应。作为应用示例,我们采用级联方程模拟了生物光富集体系的二维相干动力学光谱以及含时电子输运过程中的动态近藤效应。
郑晓徐瑞雪许健金锦双胡洁严以京
关键词:量子耗散量子输运
A First-Principles Investigation of the Carrier Doping Effect on the Magnetic Properties of Defective Graphene
2013年
The carrier doping effects on the magnetic properties of defective graphene with a hydrogen chemisorbed single-atom vacancy(H-GSV)are investigated by performing extensive spin-polarized first-principles calculations.Theoretical results show that the quasi-localized pz-derived states around the Fermi level are responsible for the weakened magnetic moment(MM)and magnetic stabilized energy(MSE)of the H-GSV under carrier doping.The mechanism of reduced MSE in the carrier doped H-GSV can be well understood by the Heisenberg magnetic coupling model due to the response of these p_(z)-derived states to the carrier doping.Within the examined range of carrier doping concentration,the total MM of H-GSV is always larger than 1.0μ_(B) with μ_(B) representing the Bohr magneton,which is mainly contributed by the localized sp^(2) states of the unsaturated C atom around the vacancy.These findings of H-GSV provide fundamental insight into defective graphene and help to understand the related experimental observations.
LEI Shu-LaiLI BinHUANG JingLI Qun-XiangYANG Jin-Long
关键词:DOPINGVACANCY
Imaging Molecular Orbitals of Single Picene Molecules Adsorbed on Cu(111) Surface: a Combined Experimental and Theoretical Study
2017年
Picene, which attracts the great interest of researchers, not only can be used to fabricate thin film transistors with high hole mobilities, but also is the parent material of a new type organic superconductor. Here, we investigate the electronic properties of individual picene molecules directly adsorbed on Cu(111) surface by a combination of experimental scanning tunneling microscopy/spectroscopy measurements and theoretical calculations based on the density functional theory. At low coverage, the picene molecules exhibit mono-dispersed adsorption behavior with the benzene ring planes parallel to the surface. The highest occupied state around -1.2 V and the lowest unoccupied state around 1.6 V with an obvious energy gap of the singly adsorbed picene molecule are identified by the dI/dV spectra and maps. In addition, we observe the strong dependence of the dI/dV signal of the unoccupied states on the intramolecular positions. Our first-principles calculations reproduce the above experimental results and interpret them as a specific molecule-substrate interaction and energy/spatial distributions of hybrid states mainly derived from different molecular orbitals of picene with some intermixing between them. This work provides direct information on the local electronic structure of individual picene on a metallic substrate and will facilitate the understanding the dependence of electron transport properties on the coupling between molecules and metal electrodes in single-molecule devices.
Chun-shengZhouHuan ShanBin LiAi-di Zhao
Advancing Hierarchical Equations of Motion for Efficient Evaluation of Coherent Two-dimensional Spectroscopy被引量:2
2011年
To advance hierarchical equations of motion as a standard theory for quantum dissipative dynamics, we put forward a mixed Heisenberg-SchrSdinger scheme with block-matrix implementation on efficient evaluation of nonlinear optical response function. The new approach is also integrated with optimized hierarchical theory and numerical filtering algorithm. Different configurations of coherent two-dimensional spectroscopy of model excitonic dimer systems are investigated, with focusing on the effects of intermolecular transfer coupling and bi-exciton interaction.
许健徐瑞雪Darius Abramavicius张厚道严以京
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