Abstract
We develop a detailed theoretical model of photo-induced proton-coupled electron transfer (PPCET) processes, which are at the basis of solar energy harvesting in biological systems and photovoltaic materials. Our model enables us to analyze the dynamics and the efficiency of a PPCET reaction under the influence of a thermal environment by disentangling the contribution of the fundamental electron transfer and proton transfer steps. In order to study quantum dynamics of the PPCET process under an interaction with the non-Markovian environment, we employ the hierarchical equations of motion. We calculate transient absorption spectroscopy (TAS) and a newly defined two-dimensional resonant electronic-vibrational spectroscopy (2DREVS) signals in order to study the nonequilibrium reaction dynamics. Our results show that different transition pathways can be separated by TAS and 2DREVS.
Sign-in/Register to access full text options 
Talk to us
Join us for a 30 min session where you can share your feedback and ask us any queries you have
Schedule a callDisclaimer: All third-party content on this website/platform is and will remain the property of their respective owners and is provided on "as is" basis without any warranties, express or implied. Use of third-party content does not indicate any affiliation, sponsorship with or endorsement by them. Any references to third-party content is to identify the corresponding services and shall be considered fair use under The CopyrightLaw.
