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中国博士后科学基金(2012M511603)

作品数:4 被引量:2H指数:1
相关作者:易林薛丽更多>>
相关机构:华中科技大学更多>>
发文基金:中国博士后科学基金国家自然科学基金湖北省自然科学基金更多>>
相关领域:理学一般工业技术金属学及工艺更多>>

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The effects of process conditions on the plasma characteristic in radio-frequency capacitively coupled SiH_4/NH_3/N_2 plasmas: Two-dimensional simulations
2013年
A two-dimensional (2D) fluid model is presented to study the behavior of silicon plasma mixed with SiH4 , N2 , and NH3 in a radio-frequency capacitively coupled plasma (CCP) reactor. The plasma–wall interaction (including the deposition) is modeled by using surface reaction coefficients. In the present paper we try to identify, by numerical simulations, the effect of variations of the process parameters on the plasma properties. It is found from our simulations that by increasing the gas pressure and the discharge gap, the electron density profile shape changes continuously from an edge-high to a center-high, thus the thin films become more uniform. Moreover, as the N2 /NH3 ratio increases from 6/13 to 10/9, the hydrogen content can be significantly decreased, without decreasing the electron density significantly.
刘相梅宋远红姜巍易林
Simulation of nanoparticle coagulation in radio-frequency capacitively coupled C_2H_2 discharges
2014年
A self-consistent fluid model is employed to investigate the coagulation stage of nanoparticle formation, growth, charging, and transport in a radio-frequency capacitively coupled parallel-plate acetylene (C2H2) discharge. In our simulation, the distribution of neutral species across the electrode gap is determined by mass continuity, momentum balance, and energy balance equations. Since a thermal gradient in the gas temperature induced by the flow of the neutral gas, a careful study of the thermophoretic force on the spatial distribution of the nanoparticle density profiles is indispensable. In the present paper, we mainly focus on the influences of the gas flow rate, voltage, and gas pressure on the spatial distribution of the nanoparticle density. It appears that the resulting density profile of the 10-nm particles experiences a significant shift towards the upper showerhead electrode once the neutral increasing the gas flow rate. Thus, the flow of neutral gas can the plasma. equations are applied, and a serious shift is observed when strongly influence the spatial distribution of the particles in
刘相梅李奇楠徐翔
Al掺杂对合金Mg_(1-x)Ti_x及其氢化物稳定性的影响被引量:1
2013年
用密度泛函理论,研究了Al对合金Mg1xTix及其氢化物稳定性和电子结构的影响.通过计算不同掺杂浓度的Mg-Ti-Al合金的形成焓,发现当Al和Ti的浓度之比为1:1时,合金结构最稳定,有利于氢的可逆吸收;而掺杂体系的氢化物稳定性降低,可提高放氢性能.通过对态密度,电子密度和键长的分析,表明Al改善Mg-Ti系统的放氢性能的原因是掺杂后减少了低能级区成键态的电子以及减弱了Mg-H,Ti-H原子间的相互作用.
薛丽易林
关键词:电子结构稳定性
Electronic structures and thermoelectric properties of solid solutions CuGa_(1-x) In_xTe_2 : A first-principles study被引量:1
2014年
The electronic structures of solid solutions CuGal_xlnxTe2 are systematically investigated using the full-potential all-electron linearized augmented plane wave method. The calculated lattice parameters almost linearly increase with the increase of the In composition, which are in good agreement with the available experimental results. The calculated band structures with the modified Becke-Johnson potential show that all solid solutions are direct gap conductors. The band gap decreases linearly with In composition increasing. Based on the electronic structure calculated, we investigate the thermoelectric properties by the semi-classical Boltzmann transport theory. The results suggest that when Ga is replaced by In, the bipolar effect of Seebeck coefficient S becomes very obvious. The Seebeck coefficient even changes its sign from positive to negative for p-type doping at low carrier concentrations. The optimal p-type doping concentrations have been estimated based on the predicted maximum values of the power factor divided by the scattering time.
薛丽徐斌易林
关键词:FIRST-PRINCIPLES
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