Programming Atomically Thin TMD Monolayers to Form 3D Shapes

ORAL

Abstract

Atomically- and near atomically-thin sheets can be programmed to form 3D shapes by spatially designing internal strains. We explore means of programming stretching and bending strains into 2D TMD monolayers, enabling 3D shape design and tunability of structural, mechanical, and optoelectronic properties. We present a general plate theory-based thermodynamic formalism for shape programming with elastic sheets and apply it via numerical simulation to various TMD systems and geometries. Our description is informed by input parameters computed from first-principles. It provides a quantitative framework for outlining paths toward designer 2D material systems with optimized shape and functional properties via the ability to program both stretching and bending strains locally. Potential applications are broad and include flexible / foldable electronics and nano-structured catalytic materials.

*This work was supported as part of the Center for the Computational Design of Functional Layered Materials, an Energy Frontier Research Center funded by the U.S. Department of Energy, Office of Science.

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Presenters

  • Joel Berry

    • Department of Materials Science and Engineering, University of Pennsylvania

Authors

  • Joel Berry

    • Department of Materials Science and Engineering, University of Pennsylvania

  • Simeon Ristić

    • Department of Materials Science and Engineering, University of Pennsylvania

  • Songsong Zhou

    • Department of Materials Science and Engineering, University of Pennsylvania

  • Jiwoong Park

    • University of Chicago
    • Chemistry, University of Chicago
    • Cornell Univ
    • Department of Chemistry, Institute for Molecular Engineering, and James Franck Institute, University of Chicago

  • David Srolovitz

    • Department of Materials Science and Engineering, Department of Mechanical Engineering and Applied Mechanics, University of Pennsylvania