Journal
CHEMICAL PHYSICS LETTERS
Volume 683, Issue -, Pages 478-482Publisher
ELSEVIER SCIENCE BV
DOI: 10.1016/j.cplett.2017.02.082
Keywords
Birnessite; Collective dynamics; Confinement; Solvent relaxation
Funding
- Center for the Computational Design of Functional Layered Materials
- Energy Frontier Research Center - U.S. Department of Energy, Office of Science, Basic Energy Sciences [DE-SC0012575]
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The confined environment presented by layered transition metal oxides is conducive to a variety of chemical reactions. Despite intense interest in these materials, little is known regarding the microscopic details relevant to their catalytic activity. We characterize aspects of the dynamics governing a redox reaction in the interlayer environment between manganese dioxide sheets. The nonequilibrium solvation dynamics surrounding charge transfer between an ion and the surface are highly non-linear and exhibit long-time relaxation that is governed by collective dynamics. These dynamics are rationalized in terms of structural rearrangements, allowing connections to be made to more complex reactions in these materials. (C) 2017 Elsevier B.V. All rights reserved.
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