Atomic scale microstructure and properties of Se-deficient two-dimensional MoSe2

ACS Nano
Ossi LehtinenArkady V Krasheninnikov

Abstract

We study the atomic scale microstructure of nonstoichiometric two-dimensional (2D) transition metal dichalcogenide MoSe2-x by employing aberration-corrected high-resolution transmission electron microscopy. We show that a Se-deficit in single layers of MoSe2 grown by molecular beam epitaxy gives rise to a dense network of mirror-twin-boundaries (MTBs) decorating the 2D-grains. With the use of density functional theory calculations, we further demonstrate that MTBs are thermodynamically stable structures in Se-deficient sheets. These line defects host spatially localized states with energies close to the valence band minimum, thus giving rise to enhanced conductance along straight MTBs. However, electronic transport calculations show that the transmission of hole charge carriers across MTBs is strongly suppressed due to band bending effects. We further observe formation of MTBs during in situ removal of Se atoms by the electron beam of the microscope, thus confirming that MTBs appear due to Se-deficit, and not coalescence of individual grains during growth. At a very high local Se-deficit, the 2D sheet becomes unstable and transforms to a nanowire. Our results on Se-deficient MoSe2 suggest routes toward engineering the propertie...Continue Reading

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Citations

Jan 5, 2016·ACS Applied Materials & Interfaces·Dimitra TsoutsouAthanasios Dimoulas
Nov 7, 2015·ACS Nano·Ganesh R BhimanapatiJoshua A Robinson
Mar 5, 2016·ACS Applied Materials & Interfaces·Anupam RoySanjay K Banerjee
Nov 26, 2015·Physical Chemistry Chemical Physics : PCCP·Baorui XiaKun Tao
Mar 24, 2016·Nanoscale·Ville VierimaaHannu-Pekka Komsa
Jun 24, 2015·Small·Xiaolong Zou, Boris I Yakobson
May 4, 2016·Nano Letters·Yu Li HuangAndrew T S Wee
May 18, 2016·Nano Letters·Vasilii I ArtyukhovBoris I Yakobson
Aug 3, 2016·Scientific Reports·Vighter IberiOlga S Ovchinnikova
Oct 5, 2016·Nature Communications·F FabbriG Salviati
Feb 15, 2017·ACS Nano·Lan NguyenSarah J Haigh
Sep 12, 2017·Nanotechnology·Man Kit ChengIam Keong Sou
Sep 6, 2018·Materials·Gianpaolo PapariAntonello Andreone
Jan 28, 2018·Scientific Reports·Jin Tae KimKimoon Lee
May 1, 2020·Journal of Physics. Condensed Matter : an Institute of Physics Journal·Chongdan RenHongyu Tian
Mar 16, 2017·Advanced Materials·Hui ZhuMoon J Kim
Nov 21, 2018·Journal of Physics. Condensed Matter : an Institute of Physics Journal·Matthias Batzill
Mar 19, 2020·Nanotechnology·Céline VergnaudMatthieu Jamet
May 1, 2018·Advanced Materials·Xiaoxu ZhaoStephen J Pennycook
Mar 20, 2019·Advanced Science·Yao XiaoLei Fu

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