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国家自然科学基金(10832005)

作品数:20 被引量:24H指数:3
相关作者:刘念华刘春梅安丽萍刘正方李健文更多>>
相关机构:南昌大学燕山大学南昌工程学院更多>>
发文基金:国家自然科学基金国家重点基础研究发展计划重庆市自然科学基金更多>>
相关领域:理学一般工业技术化学工程建筑科学更多>>

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20 条 记 录,以下是 1-10
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碳原子环对水分子吸附的第一性原理研究
2011年
采用基于密度泛函理论的第一性原理,研究了碳原子环对水分子的吸附行为,比较了不同吸附位置下体系能隙、费米能以及吸收光谱的区别。研究结果表明,碳原子环上的水分子吸附只是物理吸附,且水分子吸附位置不同对体系的电学与光学性能产生显著影响。特别是水分子的吸附为放热过程,由于水分子吸附,使体系的能隙以及费米能级发生改变,将影响体系的物理化学性质。此基础上研究了体系的吸收光谱,计算结果发现,体系的吸收峰位置会随水分子吸附位置的改变而发生振荡移动。
刘正方刘念华安丽萍刘春梅
关键词:第一性原理
吸附缺陷对armchair型石墨烯纳米条带输运性质的影响被引量:6
2011年
本文基于第一性原理研究了单个氢原子吸附缺陷对armchair型石墨烯纳米条带电子输运性质的影响。研究发现,吸附缺陷使armchair型石墨烯纳米条带在费米面附近的导电性有所降低,但透射能隙依然存在。缺陷对透射抑制的强弱与其吸附位置有关。在完整石墨烯纳米条带的布洛赫波函数分布几率较大处引入缺陷对电子输运的阻碍作用较大。对于布洛赫波函数分布相同的情况,吸附位置越靠近石墨烯纳米条带中心,则对电子输运的阻碍作用越大。
刘春梅肖贤波刘念华
关键词:电子输运性质
A Theoretical Analysis of Torque and Superlubric Motion in Bilayer Graphene Disks
2015年
To identify the relation between torque and superlubric motion, we investigate the interlayer sliding behavior of two graphene disks with numerical computation methods. The potential energy, lateral force and torque between the top and bottom graphene disks, which are associated with misfit angle, translational displacement and interlayer distance, are analyzed. The results show that the rotation of the top disk is feeble for commensurate state, but it is difficult to realize superlubricity due to the lateral force fluctuating remarkably. For incommensurate state, the flake exhibits vanishing torque approaching to zero only for partial sliding directions. The superlubricity between the top and bottom disks will be eliminated due to torque-induced reorientation along other sliding directions. Whether for commensurate or incommensurate contact, the amplitudes of the lateral force (516 pN and 13 pN, respectively) are in qualitative agreement with experimental observation (typically 250 pN and 50 pN, respectively). It shows that the interlayer torque is insensitive to the top disk size with incommensurate contact. The results suggest that the superlubric motion of graphene disk can be controlled by adjusting the torque.
LI JianwenLIU Nianhua
关键词:SUPERLUBRICITYTORQUE
基于碳纳米管的纳机电系统的可控稳定振动(英文)
2017年
采用数值方法研究了基于双壁碳纳米管的纳机电系统在周期性简谐驱动力作用下实现稳定振动的条件。确定了获得持久稳定的振动的系统和控制力参数。计算和分析了双壁碳纳米管的操作特性。结果表明,通过选择合适的驱动振幅和频率,能够实现双壁碳纳米管的持久稳定振动。该方法对于进一步研究基于碳纳米管的纳机电系统的设计有重要的参考价值。
李健文刘念华
关键词:纳机电系统纳米振子驱动频率碳纳米管
Small is beautiful, and dry被引量:2
2010年
Thousands of plant and animal species have been observed to have superhydrophobic surfaces that lead to various novel behaviors. These observations have inspired attempts to create artificial superhydrophobic surfaces, given that such surfaces have multitudinous applications. Superhydrophobicity is an enhanced effect of surface roughness and there are known relationships that correlate surface roughness and superhydrophobicity, based on the underlying physics. However, while these examples demonstrate the level of roughness they tell us little about the independence of this effect in terms of its scale. Thus, they are not capable of explaining why such naturally occurring surfaces commonly have micron-submicron sizes. Here we report on the discovery of a new relation, its physical basis and its experimental verification. The results reveal that scaling-down roughness into the micro-submicron range is a unique and elegant strategy to not only achieve superhydrophobicity but also to increase its stability against environmental disturbances. This new relation takes into account the previously overlooked but key fact that the accumulated line energy arising from the numerous solid-water-air intersections that can be distributed over the apparent contact area, when air packets are trapped at small scales on the surface, can dramatically increase as the roughness scale shrinks. This term can in fact become the dominant contributor to the surface energy and so becomes crucial for accomplishing superhydrophobicity. These findings guide fabrication of stable super water-repellant surfaces.
SHERIDAN John
关键词:WETTINGCONTACTANGLESUPERHYDROPHOBIC
原子尺度下摩擦的失稳和耗散动力学(英文)
2017年
采用Frenkel-Kontorova模型和基于双质量双弹簧模型的等效耦合振子模型求解了探针与基底间几种不同耦合类型的能量耗散动力学问题.发现了纳米尺度下能量耗散失稳现象,并通过平均耗散功率和粒子相对于质心的位移分析了正弦势和多阱周期性基底势两种情况下的能量耗散特性.计算结果与最近采用摩擦力显微镜观察的实验结果进行了比较.
李健文刘念华
关键词:耗散失稳摩擦力显微镜
具有边缘缺陷石墨烯纳米结的自旋输运特性(英文)被引量:1
2012年
利用第一性原理研究了两种具有边缘缺陷石墨烯纳米结的自旋输运,即边界氢原子饱和和未被饱和两种情况。结果表明:边缘缺陷改变了电子的输运行为。对于完整的石墨烯纳米带,两种自旋的电子在费米能级附近是完全简并的;对于含有边缘缺陷的石墨烯纳米结,两种自旋的电子在费米能级附近的很大能量范围内表现出自旋分离。电子局域态密度可进一步说明这种输运行为。这些纳米结可产生与自旋相关的极化电流。特别对于未饱和的缺陷结,在任何偏压下都有较高的自旋滤波效率。
安丽萍刘念华
关键词:石墨烯纳米带自旋输运
Effects of an applied low frequency field on the dynamics of a two-level atom interacting with a single-mode field
2010年
The effects of an applied low frequency field on the dynamics of a two-level atom interacting with a single-mode field are investigated. It is shown that the time evolution of the atomic population is mainly controlled by the coupling constants and the frequency of the low frequency field, which leads to a low frequency modulation function for the time evolution of the upper state population. The amplitude of the modulation function becomes larger as the coupling constants increase. The frequency of the modulation function is proportional to the frequency of the low frequency field, and decreases with increasing coupling constant.
徐勋卫刘念华
Electronic structures and transport properties of BN nanodot superlattices of armchair graphene nanoribbons
2011年
The electronic and transport properties of embedded boron nitride(BN) nanodot superlattices of armchair graphene nanoribbons are studied by first-principles calculations.The band structure of the graphene superlattice strongly depends on the geometric shape and size of the BN nanodot,as well as the concentration of nanodots.The conduction bands and valence bands near the Fermi level are nearly symmetric,which is induced by electron-hole symmetry.When B and N atoms in the graphene superlattices with a triangular BN nanodot are exchanged,the valance bands and conduction bands are inverted with respect to the Fermi level due to electron-hole symmetry.In addition,the hybridization ofπorbitals from C and redundant B atoms or N atoms leads to a localized band appearing near the Fermi level.Our results also show a series of resonant peaks appearing in the conductance.This strongly depends on the distance of the two BN nanodots and on the shape of the BN nanodot. Controlling these parameters might allow the modulation of the electronic response of the systems.
安丽萍刘念华
无模板交流电沉积法制备金纳米/微米线被引量:1
2011年
采用交流电沉积法,在预制备的铂电极对之间可以获得不同形貌的金纳米结构。通过控制实验条件,如交流电频率、电镀液浓度等,可沉积出直线型金纳米线。利用示波器监测电路电流控制电路的通断,可以使沉积出的金线接通电极对。通过TEM观察和伏安特性测试,使电沉积金线为单晶结构且具有较低的电阻率(7.8×10-7Ω.m),交流电沉积法生长金线在微/纳连接和生物/化学传感器中具有潜在的应用。
袁建国钟强周兆英杨兴
关键词:单晶
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