SINGLET EXCITATION TRANSFER IN COLUMNAR LIQUID CRYSTALS STUDIED BY MONTE CARLO SIMULATIONS
SINGLET EXCITATION TRANSFER IN COLUMNAR LIQUID CRYSTALS STUDIED BY MONTE CARLO SIMULATIONS
复制标题
通过蒙特卡罗模拟研究柱状液晶中的单线态激发传递
DOI：
10.1021/jp9600773
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发表时间：
1996
期刊：
影响因子：
--
通讯作者：
P. Argyrakis
中科院分区：
文献类型：
--
作者：
H. Sigal;D. Markovitsi;L. Gallos;P. Argyrakis
本文研究了盘状分子形成的柱状液晶中的电子激发转移。传输过程被认为是发生在单重态通过随机行走跳跃，并通过蒙特卡罗模拟研究。跳跃概率的距离依赖性由扩展偶极子近似确定。考虑了柱内和柱间的长程步长。研究了（i）跳跃可能发生的最近邻数目，（ii）柱间距离，（iii）过渡偶极子的长度和方向对沿着柱轴的均方根位移和存在陷阱时的生存概率的影响.结果表明，长距离跳减慢了传输过程。运输最初是一维的，在较长的时间内变成三维的。当柱间距减小或过渡偶极子的长度增加时，过渡区向短时间过渡。
The present paper deals with electronic excitation transfer in columnar liquid crystals formed by disklike molecules. The transport process is considered to occur in the singlet state via random walk hopping and is studied by Monte Carlo simulations. The distance dependence of the hopping probability is determined by the extended dipole approximation. Long-range steps, both intracolumnar and intercolumnar, are taken into account. The influence of (i) the number of nearest neighbors to which hops may occur, (ii) the intercolumnar distance, (iii) the length and the orientation of the transition dipoles, on the root mean square displacement along the column axis and the survival probability in presence of traps is investigated. It is shown that long-range hops slow down the transfer process. The transport is initially one-dimensional and becomes three-dimensional at longer times. The crossover regime is shifted to shorter times when the intercolumnar distance decreases or the length of the transition dipoles...