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邻苯二酚/二氧化钛界面是一种研究染料敏化太阳能电池相关性能的简单模型,然而,水和缺陷的存在对邻苯二酚/二氧化钛界面电子能级和激子性质的影响却很少被探究.本文通过第一性的多体格林函数理论研究四种邻苯二酚/二氧化钛界面,确定覆盖面、水和缺陷对电子能级和激子性质的影响.邻苯二酚在金红石(110)表面的吸附使二氧化钛的最高价带和最低导带的能量增加了约0.7 eV,覆盖面的增加和水的存在降低了强度最大的电荷转移态激子的光学吸收.当吸附基底为还原的羟基化二氧化钛时,最低导带大大降低,导致亚带隙变为2.51 eV.四种界面结构的激子分布离域至几个原胞,特别是吸附基底为羟基化二氧化钛的界面结构.采用羟基化的二氧化钛基底时虽然会降低开路电压,但同时也增加了光生电子与空穴的分离,因此可通过控制缺陷浓度来提高光伏效率. 相似文献
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以液晶5 C B材料为研究对象, 分析不同相( 晶体相, 向列相, 各相同性相)下液晶5 C B的磁化强度随外
磁场变化情况, 实验结果表明, 当外加磁场强度在50 0 0~2 30 0 0G s , -2 30 0 0~-50 0 0G s范围内变化时, 液晶
5 C B磁矩表现出抗磁性, 对实验数据进行分析, 用最小二乘法进行线性拟合, 表明液晶5 C B磁化强度与外加磁场变
化的关系符合线性关系, 且当液晶5 C B处于向列相时, 其相关系数r= -0. 9 9, 处于各相同性相时, 其相关系数r=
-0. 9 3, 同时, 经观察发现, 3种不同相下的液晶5 C B的磁化强度线性拟合方程的斜率差别较大, 向列相下的液晶
5 C B磁化强度线性拟合方程斜率最大, 晶体相下的液晶5 C B磁化强度线性拟合方程斜率最小, 即表明其磁化强度
随外磁场强度变化情况相对较快, 因此, 可以通过判断拟合直线方程斜率相对大小来判断出液晶不同的相 相似文献
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为了操控在非线性克尔介质中传输的光孤子,以薛定谔方程为模型,采用分步傅里叶数值模拟的方法,分别研究了在非线性自聚焦克尔介质中添加高斯势垒、高斯势阱、Scarf-Ⅱ势垒(阱)和周期势垒(阱)后,光孤子在非线性克尔介质中的传输情况.通过改变势垒(阱)的高度(深度)、高斯势垒(阱)和Scarf-Ⅱ势垒(阱)的宽度,或者周期性势垒的周期,可实现对光孤子的操控.随着参数取值的不同,光孤子在传输中出现了反射、隧穿、周期性摆动、直线传播、分裂、光强增大等不同的现象.研究结果可为光开关和光控光技术提供参考. 相似文献
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该文研究一类二阶非线性中立型时滞微分方程的振动性,利用双Riccati变换和不等式技巧,得到了所研究方程一切解振动的若干新的充分条件.所得结果推广、改进和统一了最近文献中关于半线性、非线性泛函微分方程和广义Emden-Fowler方程的振动定理.同时也给出了主要定理的相应示例. 相似文献
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Copper phthalocyanine junctions, fabricated by magnetron sputtering and evaporating methods, show multi-polar (unipolar and bipolar) resistance switching and the memory effect. The multi-polar resistance switching has not been observed simultaneously in one organic material before. With both electrodes being cobalt, the unipolar resistance switching is universal. The high resistance state is switched to the low resistance state when the bias reaches the set voltage. Generally, the set voltage increases with the thickness of copper phthalocyanine and decreases with increasing dwell time of bias. Moreover, the low resistance state could be switched to the high resistance state by absorbing the phonon energy. The stability of the low resistance state could be tuned by different electrodes. In Au/copper phthalocyanine/Co system, the low resistance state is far more stable, and the bipolar resistance switching is found. Temperature dependence of electrical transport measurements demonstrates that there are no obvious differences in the electrical transport mechanism before and after the resistance switching. They fit quite well with Mott variable range hopping theory. The effect of A1203 on the resistance switching is excluded by control experiments. The holes trapping and detrapping in copper phthalocyanine layer are responsible for the resistance switching, and the interfacial effect between electrodes and copper phthalocyanine layer affects the memory effect. 相似文献
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构造求解-阶微分方程组初值问题的八阶龙格-库塔递推公式,结合描述有机分子运动的-维紧束缚模型,研究PPV原子链中极化子的形成及运动.对碳原子数N=160的PPV原子链,由可控步长八阶龙格-库塔公式求解2N(2N+1)=102720个方程组成的方程组,用Fortran语言编程计算,得到稳定的极化子结构和运动图像;在场强E=1×105V·cm-1的电场作用下,极化子沿分子链的运动速率约为0.2635Å·fs-1.计算结果表明,八阶龙格-库塔方程可以有效地用于有机分子链中载流子运动的模拟. 相似文献
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Charge carriers in organic semiconductor are different from that of traditional inorganic semiconductor. Based on three-current model, considering electrical field effect, we present a theoretical model to discuss spin-polarized injection from ferromagnetic electrode into organic semiconductor by analyzing electrochemical potential both in ferromagnetic electrode and organic semiconductors. The calculated result of this model shows effects of electrode's spin polarization, equilibrium value of polarons ratio, interracial conductance, bulk conductivity of materials and electrical field. It is found that we could get decent spin polarization with common ferromagnetic electrode by increasing equilibrium value of polarons ratio. We also find that large and matched bulk conductivity of organic semiconductor and electrode, small spin-dependent interracial conductance, and enough large electrical field are critical factors for increasing spin polarization. 相似文献
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由于有机半导体(OSC)材料自旋弛豫时间长、自旋扩散长度大,OSC自旋器件逐渐成为研究热点.对于有机电致发光器件(OLED),通过自旋极化电极调控单线态和三线态激子比率是提高其效率的有效方法.本文从漂移扩散方程和载流子浓度连续性方程出发,结合朗之万定律建立了一个自旋注入、输运、复合的理论模型.计算了OSC中的极化电子、空穴浓度,得出了单线态和三线态激子的比率.分析了电场强度、自旋相关界面电导、电极和OSC电导率匹配和电极极化率等因素的影响.计算结果表明:两电极注入反向极化的载流子并提高载流子自旋极化率,有 相似文献
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