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Persistent quantum coherence and strong coupling enable fast electron transfer across the cds/tio2 interface: a time-domain ab initio simulation
, Article Journal of Physical Chemistry C ; Volume 122, Issue 44 , 2018 , Pages 25606-25616 ; 19327447 (ISSN) ; Akimov, A. V ; Jankowska, J ; Rezakhanai, A. T ; Tafreshi, S. S ; De Leeuw, N. H ; Moshfegh, A. Z ; Prezhdo, O. V ; Sharif University of Technology
American Chemical Society
2018
Abstract
Fast transfer of photoinduced electrons and subsequent slow electron-hole recombination in semiconductor heterostructures give rise to long-lived charge separation which is highly desirable for photocatalysis and photovoltaic applications. As a type II heterostructure, CdS/TiO2 nanocomposites extend the absorption edge of the light spectrum to the visible range and demonstrate effective charge separation, resulting in more efficient conversion of solar energy to chemical energy. This improvement in performance is partly explained by the fact that CdS/TiO2 is a type II semiconductor heterostructure and CdS has a smaller energy band gap than UV-active TiO2. Ultrafast transient absorption...