Vibronic and Coherent Effects on Interfacial Electron Transfer Dynamics

• DOI: 10.1021/acs.jpclett.5b02191
• Publication Date: 2015-11-26T05:09:23Z
• Authors: Alberto Torres; Robson S. Oliboni; Luis G. C. Rego
• Keywords: Dephasing; Vibronic coupling; Vibronic spectroscopy; Surface hopping; Dynamics

This Letter examines fundamental issues for electron transfer (ET) dynamics, such as adiabatic versus nonadiabatic effects during interfacial ET, the influence of vibrational degrees freedom on electronic occurrence coherences and ensuing dephasing effects. The interplay these mechanisms ultrafast ET is discussed. A theoretical method quantum dynamics electrons in flexible molecular systems used to study from perylene chromophore TiO2 semiconductor surface. By analyzing Fourier transform survival probability curves, it possible discern oscillating features that are caused by vibronic treated within atomistic level description their identified charge dynamics. insights revealed general thus can be useful analysis other phenomena.