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HomeNanotechnologyKnowledge-driven discovery of NbOI2 as a excessive efficiency layered piezoelectric

Knowledge-driven discovery of NbOI2 as a excessive efficiency layered piezoelectric


Determine exhibits (left) the sheet piezoelectric stress tensor parts computed for two,940 totally different supplies of their monolayer type. The utmost sheet piezoelectric stress tensor parts, eij, are plotted on a log scale in models of 10-10 C/m (radial axis), in response to the area group (crystal construction) classification for the supplies (angular axis). (Proper) the atomic construction of NbOX2 (X = Cl, Br, I) exhibits a non-symmetry within the x-direction. Credit score: Nature Communications (2022). DOI: 10.1038/s41467-022-29495-y

Piezoelectric supplies can convert mechanical vitality to electrical vitality, and vice versa. Lately, there was rising curiosity within the seek for two-dimensional (2D) layered piezoelectrics. Such layered van der Waals piezoelectrics are significantly helpful for area of interest purposes comparable to actuators with atomic-scale precision and wearable sensors. As well as, 2D piezoelectrics can operate as nanoscale energy mills for nanoscale units.

The invention of 2D piezoelectrics has largely been on an advert hoc foundation. A scientific search by way of a 2D supplies database is required to uncover 2D supplies that are most fitted to use as piezoelectrics. The analysis crew led by Affiliate Professor Quek Su Ying from the Division of Physics, Nationwide College of Singapore, carried out such a scientific search by way of a database of two,940 layered van der Waals supplies utilizing high-throughput first ideas calculations. Of the two,940 supplies, the crew recognized 109 supplies that exhibit piezoelectric results within the single layer type. Amongst these supplies, about 10 of them are discovered to have exceptionally massive piezoelectric coefficients with the best being these for NbOI2. Supplies with excessive piezoelectric coefficients usually give higher piezoelectric efficiency.

The superb piezoelectric efficiency of NbOI2 is mirrored in its predicted electromechanical coupling issue, which has the utmost attainable worth of unity on this materials. The analysis crew remoted few-layer NbOI2 crystals and carried out laser scanning vibrometer research on bulk and few-layer NbOI2 crystals to measure their piezoelectric response. They discovered that NbOI2 displayed a piezoelectric response that’s a lot bigger than reference supplies in each the majority and few-layer samples.

NbOI2 belongs to a household of niobium oxydihalides (NbOX2: X = Cl, Br, I) which have massive piezoelectric coefficients. The researchers made a extra detailed research of this materials household and located that NbOX2 has an intrinsic ferroelectric polarization as its crystal construction just isn’t symmetrical within the x-direction). Curiously, the piezoelectric coefficients are the biggest for NbOI2, whereas the ferroelectric polarization is largest for NbOCl2.

Prof Quek stated, “The category of NbOX2 supplies has nice potential for purposes. Our work confirmed that certainly one of its members, NbOI2, had one of the best piezoelectric efficiency among the many 2,940 supplies in our research. Moreover, we discovered that its piezoelectric efficiency is unbiased of thickness. That is not like different 2D piezoelectrics comparable to molybdenum disulfide, the place the piezoelectricity just isn’t current when there’s a good variety of layers. The thickness-independence of piezoelectricity in NbOX2 is beneficial for sensible purposes the place the management of the fabric thickness could also be significantly difficult.”


Examine challenges customary concepts about piezoelectricity in ferroelectric crystals


Extra info:
Yaze Wu et al, Knowledge-driven discovery of excessive efficiency layered van der Waals piezoelectric NbOI2, Nature Communications (2022). DOI: 10.1038/s41467-022-29495-y

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Nationwide College of Singapore


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Knowledge-driven discovery of NbOI2 as a excessive efficiency layered piezoelectric (2022, August 5)
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