Data-driven discovery of high performance layered van der Waals piezoelectric NbOI2

Yaze Wu, Ibrahim Abdelwahab, Ki Chang Kwon, Ivan Verzhbitskiy, Lin Wang, Weng Heng Liew, Kui Yao, Goki Eda, Kian Ping Loh (), Lei Shen () and Su Ying Quek ()
Additional contact information
Yaze Wu: National University of Singapore
Ibrahim Abdelwahab: Centre for Advanced 2D Materials and Graphene Research Centre
Ki Chang Kwon: National University of Singapore
Ivan Verzhbitskiy: National University of Singapore
Lin Wang: National University of Singapore
Weng Heng Liew: Agency for Science, Technology and Research (A*STAR)
Kui Yao: Agency for Science, Technology and Research (A*STAR)
Goki Eda: National University of Singapore
Kian Ping Loh: Centre for Advanced 2D Materials and Graphene Research Centre
Lei Shen: National University of Singapore
Su Ying Quek: National University of Singapore

Nature Communications, 2022, vol. 13, issue 1, 1-10

Abstract: Abstract Using high-throughput first-principles calculations to search for layered van der Waals materials with the largest piezoelectric stress coefficients, we discover NbOI2 to be the one among 2940 monolayers screened. The piezoelectric performance of NbOI2 is independent of thickness, and its electromechanical coupling factor of near unity is a hallmark of optimal interconversion between electrical and mechanical energy. Laser scanning vibrometer studies on bulk and few-layer NbOI2 crystals verify their huge piezoelectric responses, which exceed internal references such as In2Se3 and CuInP2S6. Furthermore, we provide insights into the atomic origins of anti-correlated piezoelectric and ferroelectric responses in NbOX2 (X = Cl, Br, I), based on bond covalency and structural distortions in these materials. Our discovery that NbOI2 has the largest piezoelectric stress coefficients among 2D materials calls for the development of NbOI2-based flexible nanoscale piezoelectric devices.

Date: 2022
References: View complete reference list from CitEc
Citations: View citations in EconPapers (1)

Downloads: (external link)
https://www.nature.com/articles/s41467-022-29495-y 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:13:y:2022:i:1:d:10.1038_s41467-022-29495-y

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

DOI: 10.1038/s41467-022-29495-y

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 ().