IDEAS home Printed from https://ideas.repec.org/a/nat/natcom/v5y2014i1d10.1038_ncomms5845.html
   My bibliography  Save this article

Rational design of all organic polymer dielectrics

Author

Listed:
  • Vinit Sharma

    (University of Connecticut
    Institute of Materials Science, University of Connecticut)

  • Chenchen Wang

    (University of Connecticut
    Institute of Materials Science, University of Connecticut)

  • Robert G. Lorenzini

    (Institute of Materials Science, University of Connecticut
    Institute of Materials Science, University of Connecticut)

  • Rui Ma

    (Institute of Materials Science, University of Connecticut
    Institute of Materials Science, University of Connecticut)

  • Qiang Zhu

    (Stony Brook University)

  • Daniel W. Sinkovits

    (Columbia University)

  • Ghanshyam Pilania

    (Los Alamos National Laboratory)

  • Artem R. Oganov

    (Stony Brook University
    Moscow Institute of Physics and Technology
    Northwestern Polytechnical University)

  • Sanat Kumar

    (Columbia University)

  • Gregory A. Sotzing

    (Institute of Materials Science, University of Connecticut
    Institute of Materials Science, University of Connecticut)

  • Steven A. Boggs

    (Institute of Materials Science, University of Connecticut)

  • Rampi Ramprasad

    (University of Connecticut
    Institute of Materials Science, University of Connecticut)

Abstract

To date, trial and error strategies guided by intuition have dominated the identification of materials suitable for a specific application. We are entering a data-rich, modelling-driven era where such Edisonian approaches are gradually being replaced by rational strategies, which couple predictions from advanced computational screening with targeted experimental synthesis and validation. Here, consistent with this emerging paradigm, we propose a strategy of hierarchical modelling with successive downselection stages to accelerate the identification of polymer dielectrics that have the potential to surpass ‘standard’ materials for a given application. Successful synthesis and testing of some of the most promising identified polymers and the measured attractive dielectric properties (which are in quantitative agreement with predictions) strongly supports the proposed approach to material selection.

Suggested Citation

  • Vinit Sharma & Chenchen Wang & Robert G. Lorenzini & Rui Ma & Qiang Zhu & Daniel W. Sinkovits & Ghanshyam Pilania & Artem R. Oganov & Sanat Kumar & Gregory A. Sotzing & Steven A. Boggs & Rampi Rampras, 2014. "Rational design of all organic polymer dielectrics," Nature Communications, Nature, vol. 5(1), pages 1-8, December.
  • Handle: RePEc:nat:natcom:v:5:y:2014:i:1:d:10.1038_ncomms5845
    DOI: 10.1038/ncomms5845
    as

    Download full text from publisher

    File URL: https://www.nature.com/articles/ncomms5845
    File Function: Abstract
    Download Restriction: no

    File URL: https://libkey.io/10.1038/ncomms5845?utm_source=ideas
    LibKey link: if access is restricted and if your library uses this service, LibKey will redirect you to where you can use your library subscription to access this item
    ---><---

    Citations

    Citations are extracted by the CitEc Project, subscribe to its RSS feed for this item.
    as


    Cited by:

    1. Rishi Gurnani & Stuti Shukla & Deepak Kamal & Chao Wu & Jing Hao & Christopher Kuenneth & Pritish Aklujkar & Ashish Khomane & Robert Daniels & Ajinkya A. Deshmukh & Yang Cao & Gregory Sotzing & Rampi , 2024. "AI-assisted discovery of high-temperature dielectrics for energy storage," Nature Communications, Nature, vol. 15(1), pages 1-10, December.
    2. Yuhui Li & Guolin Wan & Yongqian Zhu & Jingyu Yang & Yan-Fang Zhang & Jinbo Pan & Shixuan Du, 2024. "High-throughput screening and machine learning classification of van der Waals dielectrics for 2D nanoelectronics," Nature Communications, Nature, vol. 15(1), pages 1-10, December.

    More about this item

    Statistics

    Access and download statistics

    Corrections

    All material on this site has been provided by the respective publishers and authors. You can help correct errors and omissions. When requesting a correction, please mention this item's handle: RePEc:nat:natcom:v:5:y:2014:i:1:d:10.1038_ncomms5845. See general information about how to correct material in RePEc.

    If you have authored this item and are not yet registered with RePEc, we encourage you to do it here. This allows to link your profile to this item. It also allows you to accept potential citations to this item that we are uncertain about.

    We have no bibliographic references for this item. You can help adding them by using this form .

    If you know of missing items citing this one, you can help us creating those links by adding the relevant references in the same way as above, for each refering item. If you are a registered author of this item, you may also want to check the "citations" tab in your RePEc Author Service profile, as there may be some citations waiting for confirmation.

    For technical questions regarding this item, or to correct its authors, title, abstract, bibliographic or download information, contact: Sonal Shukla or Springer Nature Abstracting and Indexing (email available below). General contact details of provider: http://www.nature.com .

    Please note that corrections may take a couple of weeks to filter through the various RePEc services.

    IDEAS is a RePEc service. RePEc uses bibliographic data supplied by the respective publishers.