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利用动力学Monte Carlo模拟方法系统研究了有机分子在模板诱导下的构图机理,从微观角度详细分析了模板诱导构图中有机分子对诱导机理的选择.结果表明,有机粒子间的相互作用力是制约沉积粒子选择构图机理的关键因素,直接决定了模板对沉积粒子的诱导控制能力和沉积粒子的最终聚集构型.通过系统的模拟,我们找到了模板完全控制形核区域,并且根据粒子聚集机理的不同将该区域细分为:台阶诱导构图区域、模板上表面定位聚集区域和模板定位区域.另外,我们还详细分析了不同形核机理下聚集构型的生长过程,发现最终的粒子聚集构型还受到沉积粒子数量的制约,不同构图区域的形核机理甚至会因沉积粒子数量的增多而发生转变.
The kinetic Monte Carlo simulation method was used to systematically study the mechanism of organic molecule formation under the template induction. From the microscopic point of view, the selection of the induction mechanism by organic molecules in the template-induced patterning was analyzed in detail. The results showed that the interaction force between organic particles was restricted The key factors in the mechanism of sedimentary particle selection and composition determination directly determine the template’s ability of inducing and controlling depositional particles and the final aggregation configuration of the sedimentary particles.According to the simulation of the system, we find that the template completely controls the nucleation area, and according to the principle of particle aggregation In addition, we further analyzed the growth process of aggregated configurations under different nucleation mechanisms and found that the final particle aggregation configuration But also by the number of sedimentary particles. The nucleation mechanism of different patterned regions may even change due to the increase of sedimentary particles.