Cl/GaAs(111)表面近边X射线吸收精细结构的多重散射研究

利用多重散射团簇方法（MSC）计算了Cl/GaAs(111)吸附表面的Cl原子k边X射线吸收精细结构谱（NEXAFS）.阐明了NEXAFS谱中各个弱结构的物理起源.根据模型计算的结果与实验比较,求得吸附在顶位的氯原子和最近邻的镓原子的键长为（0.213±0.005）nm.这个结果在0.005 nm的误差范围内将广延X射线吸收精细结构（EXFAS）实验谱的Fourier变换结果（0.217 nm）和Slab模型计算的结果（0.208 nm）合理地联系起来.此外,MSC计算求得衬底表面层Ga－As键长为（0.235±0.005）nm,证实Cl吸附引起GaAs(111)表面驰豫.     

氧化镉改性石墨毡作为高性能的钒电池负极

为了提高原始石墨毡(GF)对V3+/V2+氧化还原反应的电催化活性和降低析氢反应对电池性能的影响,本文采用水热法将氧化镉(CdO)纳米颗粒负载于石墨毡表面,制备出改性石墨毡(CdO/GF)作为高性能的钒电池负极。通过扫描电镜(SEM)、X射线衍射分析(XRD)进行表面形貌和物相分析得出:CdO纳米颗粒均匀负载于石墨毡纤维表面;线性扫描伏安法(LSV)、循环伏安测试(CV)、交流阻抗谱测试(EIS)表明:相对于GF,CdO/GF有效抑制了析氢反应的活性,CdO/GF对于V3+/V2+氧化还原反应的电化学活性和可逆性有显著的提高,电荷转移阻抗也有明显的减小;单电池测试中,对比GF,CdO/GF的放电容量衰减速率有显著的下降,在90 mA·cm-2的电流密度下的电压效率和能量效率提高了约5%。在多次充放电循环过程中,CdO/GF的催化性能显示出良好的稳定性。     

多重散射团簇理论对CO/NiO(100),NO/NiO(100)吸附系统的分析与比较

用多重散射团簇(MSC)理论对CO/NiO(100)和NO/NiO(100)吸附系统的C1s近边X射线吸收精细结构(NEXAFS)和N1sNEXAFS谱进行了详细的计算和分析.理论计算表明CO/NiO(100)是弱物理吸附,CO分子与表面的多极静电相互作用很弱,σ共振不依赖C—O键长的变化,MSC方法分析表明,CO是以C原子朝下,吸附在衬底的Ni—O键桥上,可靠性因子计算显示C原子的吸附位置距Ni原子009nm,CO分子中C原子距衬底的吸附高度为031±001nm,CO分子倾斜角不大于25°.理论计算证实     

Effects of Spike Frequency Adaptation on Synchronization Transitions in Electrically Coupled Neuronal Networks with Scale-Free Connectivity

Effects of spike frequency adaptation （SFA ） on the synchronous behavior of population neurons are investigated in electrically coupled networks with a scale-free property. By a computational approach, we corroborate that pairwise correlations between neurons would decrease if neurons exhibit the feature of SFA, which is similar to previous experimental observations. However, unlike the case of pairwise correlations, population activities of neurons show a rather complex variation mode： compared with those of non-adapted neurons, neurons in the networks having weak-degrees of SFA will impair population synchronizations; while neurons exhibiting strong- degrees of SFA will enhance population synchronizations. Moreover, a variation of coupling strength between neurons will not alter this phenomenon significantly, unless the coupling strength is too weak. Our results suggest that synchronous activity of electrically coupled population neurons is adaptation-dependent, and this adaptive feature may imply some coding strategies of neuronal populations.     

High-Pressure Water-Vapor Annealing for Enhancement of a-Si：H Film Passivation of Silicon Surface

We investigate the effect of amorphous hydrogenated silicon （a-Si：H） films passivated on silicon surfaces based on high-pressure water-vapor annealing （HWA）. The effective carrier lifetime of samples reaches the maximum value after 210℃, 90min HWA. Capacitance-voltage measurement reveals that the HWA not only greatly reduces the density of interface states （Dit）, but also decreases the fixed charges （Qfixed） mainly caused by bulk defects. The change of hydrogen and oxygen in the film is measured by a spectroscopic elHpsometer and a Fourier-transform infrared （FTIR） spectrometer. All these results show that HWA is a useful method to improve the passivation effect of a-Si：H films deposited on silicon surfaces.     

Pd沉积在聚乙烯醇缩甲醛衬底上分形结构研究

用透射电子显微镜（ＴＥＭ）研究了衬底和沉积速率对气相沉积在聚乙烯醇缩甲醛衬底上的Ｐｄ膜显微结构的影响，当衬底温度由高到低改变时，Ｐｄ膜结构由紧密岛向分形渐变，在２３３－２５３Ｋ时Ｐｄ膜具有分形结构，用Ｓａｎｄｂｏｘ方法测量了其分维数，在相同温度的衬底上，沉积速率不同时，基分形的图样不同，研究表明，上述分形结构是稳定的，利用有边缘扩散的ＤＬＡ模型了这些实验结果。     

CO在NiO（100）面上吸附的近边X射线吸收精细结构理论分析

用多重散射团簇 (MSC)理论对 CO在 Ni O(10 0 )面吸附的碳 1s近边 X射线吸收精细结构(NEXAFS)实验谱进行了定量分析 ,研究了该系统可能出现的吸附模型 .MSC方法分析表明 CO是以 C原子朝下 ,吸附在衬底的 Ni- O键桥上 ,R- factor(可靠性因子 )计算显示 C原子的吸附位置距 Ni原子0 .0 9nm,CO分子中 C原子距衬底的吸附高度为 0 .31± 0 .0 1nm.本文讨论了在 Ni O表面吸附的 CO分子σ键的物理本质 .与 CO在过渡金属 Ni,Cu等表面吸附不同 ,σ共振对于 CO键长的依赖不明显