Rational design of all organic polymer dielectrics

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 and Rampi Ramprasad ()
Additional contact information
Vinit Sharma: University of Connecticut
Chenchen Wang: University of Connecticut
Robert G. Lorenzini: Institute of Materials Science, University of Connecticut
Rui Ma: 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
Sanat Kumar: Columbia University
Gregory A. Sotzing: Institute of Materials Science, University of Connecticut
Steven A. Boggs: Institute of Materials Science, University of Connecticut
Rampi Ramprasad: University of Connecticut

Nature Communications, 2014, vol. 5, issue 1, 1-8

Abstract: 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.

Date: 2014
References: Add references at CitEc
Citations: View citations in EconPapers (2)

Downloads: (external link)
https://www.nature.com/articles/ncomms5845 Abstract (text/html)

Related works:
This item may be available elsewhere in EconPapers: Search for items with the same title.

Export reference: BibTeX RIS (EndNote, ProCite, RefMan) HTML/Text

Persistent link: https://EconPapers.repec.org/RePEc:nat:natcom:v:5:y:2014:i:1:d:10.1038_ncomms5845

Ordering information: This journal article can be ordered from
https://www.nature.com/ncomms/

DOI: 10.1038/ncomms5845

Access Statistics for this article

Nature Communications is currently edited by Nathalie Le Bot, Enda Bergin and Fiona Gillespie

More articles in Nature Communications from Nature
Bibliographic data for series maintained by Sonal Shukla () and Springer Nature Abstracting and Indexing ().