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Directed Mesoscale Synthesis of Tunnel Structured Materials for Energy Applications


EMSL Project ID
47710

Abstract

Many materials for energy applications function by reversibly absorbing and releasing charge carriers. Conventional synthesis of these materials typically results in complex aggregates of nano-scale crystallites with inconsistent properties and unpredictable performance. Further, these complex morphologies and aggregate structures render it difficult to distinguish the effects of intrinsic structure/composition on a targeted property such as the diffusion of charge carriers. In this regard, we propose to develop a novel synthesis capability and expertise for extended single crystal epitaxial films of tunnel-structured manganese oxides, an important class of energy materials, to enable fundamental experimental studies that probe intrinsic structure-property relationships. This has never been successfully implemented before and will lay the ground work for studying other energy materials with complex structures. An immediate scientific issue of interest, and one of the primary goals of this work, is to understand the influence of tunnel size and composition on coupled electron/(H+)ion diffusion and charge storage. We will take advantage of EMSL’s unique combination of capabilities in epitaxial synthesis, computational chemistry (including ab initio thermodynamics), and characterization methods as outlined schematically in the Figure. The outcome can then be leveraged for anticipated funding opportunities in mesoscale science through BES. As discussed in a following section “Mesoscale Science” includes epitaxial films which span a monolayer to 100’s of nanometers. In this sense, we intend to probe “intra-crystalline” mesoscale processes. This fundamental advance is necessary to eventually tackle the full range of mesoscale phenomena in nano-crystalline aggregates, and is aligned with BES programmatic growth targets.

Project Details

Start Date
2012-10-15
End Date
2013-10-27
Status
Closed

Team

Principal Investigator

Eugene Ilton
Institution
Pacific Northwest National Laboratory

Co-Investigator(s)

Timothy Droubay
Institution
Pacific Northwest National Laboratory

Team Members

Anne Chaka
Institution
Pacific Northwest National Laboratory

Sebastien Kerisit
Institution
Pacific Northwest National Laboratory

Vaithiyalingam Shutthanandan
Institution
Environmental Molecular Sciences Laboratory