Journal
JOURNAL OF PHYSICAL CHEMISTRY LETTERS
Volume 3, Issue 19, Pages 2871-2876Publisher
AMER CHEMICAL SOC
DOI: 10.1021/jz3012436
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Funding
- U.S. Army Research Laboratory through the Army High Performance Computing Research Center [W911NF-07-0027]
- DARPA YFA Grant [N66001-12-1-4236]
- Office of Science of the U.S. Department of Energy [DE-AC02-05CH11231]
- National Science Foundation (NSF)
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We discovered that many of the commonly studied two-dimensional monolayer transition metal dichalcogenide (TMDC) nanoscale materials are piezoelectric, unlike their bulk parent crystals. On the macroscopic scale, piezoelectricity is widely used to achieve robust electromechanical coupling in a rich variety of sensors and actuators. Remarkably, our density-functional theory calculations of the piezoelectric coefficients of monolayer BN, MoS2, MoSe2, MoTe2, WS2, WSe2, and WTe2 reveal that some of these materials exhibit stronger piezoelectric coupling than traditionally employed bulk wurtzite structures. We find that the piezoelectric coefficients span more than 1 order of magnitude, and exhibit monotonic periodic trends. The discovery of this property in many two-dimensional materials enables active sensing, actuating, and new electronic components for nanoscale devices based on the familiar piezoelectric effect.
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