Citation: Xuan CAO, Mu Zhen LIAO, Xian Zhang GU, Lin Feng LI, Guo Shi WU. THE ELECTROSTATIC POTENTIAL METHOD APPLIED TO THE KINETICS OF INTERMOLECULAR ELECTRON TRANSFER IN PHOTOELECTRIC CONVERSION[J]. Chinese Chemical Letters, ;1991, 2(4): 343-344. shu

THE ELECTROSTATIC POTENTIAL METHOD APPLIED TO THE KINETICS OF INTERMOLECULAR ELECTRON TRANSFER IN PHOTOELECTRIC CONVERSION

Department of Chemistry, Tsinghua University, Beijing 100084

Received Date: 12 November 1990

A thorough investigation have been first carried out on the electron transferring between molecules by using the ab initio electrostatic potential method.By this method,we made a theoretical estimation of the energy barrier that electrons tunnel when they move from one molecule to another.The results show that for two molecules very close to each other the height of the barrier goes down exponentially with a decreasing intermolecular distance.Substituting groups have effect on the height of the barrier.The photoelectric current produced in a simulative system has also been theoretically predicted.
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