Theoretical study of energy and charge transfer in single clusters and cluster arrays at surfaces

该项目的主要目标是提供一个理论描述的电荷转移过程的机制，通过表面上的单个集群和集群阵列中的集群之间的能量转移过程。特别是，我们建议执行：-计算通过沉积在表面上的集群的电流。负载型团簇的电导率测定。研究团簇-表面相互作用（例如团簇的变形、电子能级的重排、隧穿矩阵元素的变化）对团簇输运性质的影响。- 团簇阵列中团簇间Förster耦合的计算。不同团簇尺寸分布和几何排列的能流动力学研究。优化能量传递。

The main goal of this project is to provide a theoretical description of the mechanisms for charge transfer processes through single clusters on surfaces and energy transfer processes between clusters in a cluster array. In particular, we propose to perform: - Calculation of the current through clusters deposited on surfaces. Determination of the conductivity of the supported clusters. Study of the influence of the cluster-surface interaction, (e.g. deformation of the cluster, rearrangement of electronic levels, changes in the tunneling matrix elements) on the transport properties of the clusters. - Calculation of Förster coupling between clusters in a cluster array. Dynamical study of the energy flow for different cluster size distributions and geometric arrangements. Optimization of the energy transfer.