U.S.-Venezuela Cooperative Science: Theoretical Approaches to Interfacial Transfer

这份美国-委内瑞拉合作科学计划奖将资助埃文斯顿西北大学的Mark a . Ratner博士和委内瑞拉中央大学的Vadimiro Mujica博士在界面电子转移的理论方法上的合作。研究将对扫描隧道显微镜（STM）在由金属衬底、吸附分子和STM尖端组成的系统中的电流进行形式和数值研究。该方法考虑了系统的时间依赖行为，电子从金属通过分子移动到尖端。这项研究将包括电/振动相互作用、电子/电子排斥和复杂的分子几何耦合，并将重点放在整个过程的动力学上，以及电导及其变化的计算。无论从基础知识还是从技术角度来看，这项研究都是及时而重要的。合作者的专业知识和资源是互补的。研究将以足够现实的分子细节进行，允许与实验数据进行有意义的比较，从而提供有关电导，电导率和超交换介导的供体接受的相互关系的有价值的观点。＊＊＊

9503399 Ratner This U.S.-Venezuela Cooperative Science Program award will fund a collaboration between Dr. Mark A. Ratner, Northwestern University, Evanston, and Dr. Vadimiro Mujica, Universidad Central de Venezuela, on theoretical approaches to interfacial electron transfers. The research will be on formal and numerical investigations of the scanning tunneling microscope (STM) currents in systems comprising metal substrate, adsorbed molecule, and STM tip. The approach considers the time-dependent behavior of the system, with the electron moving from metal through molecule to tip. The study will include electro/vibration interactions, electron/electron repulsion, and complex molecular geometry coupling, and will focus on the overall dynamics of the process, and the calculation of the conductance and its variations. The research is timely and important, both from the fundamental knowledge and the technological point of view. The expertise and resources of the collaborators are complementary. Studies will be carried out with sufficiently realistic molecular detail allowing meaningful comparison with experimental data, thus providing valuable perspectives about the interrelationship of conductance, conductivity, and super-exchange-mediated donor-acceptance. ***