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Register a new userAtomic mechanism of phase transition between metallic and semiconducting MoS2 single-layers
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Structural transformation between metallic (1T) and semiconducting (2H) phases of single-layered MoS2 was systematically investigated by an in situ STEM with atomic precision. The 1T/2H phase transition is comprised of S and/or Mo atomic-plane glides, and requires an intermediate phase ({alpha}-phase) as an indispensable precursor. Migration of two kinds of boundaries ({beta} and {gamma}-boundaries) is also found to be responsible for the growth of the second phase. The 1T phase can be intentionally introduced in the 2H matrix by using a high dose of incident electron beam during heating the MoS2 single-layers up to 400~700{deg}C in high vacuum and indeed controllable in size. This work may lead to the possible fabrication of composite nano-devices made of local domains with distinct electronic properties.
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A trigonal phase existing only as small patches on chemically exfoliated few layer, thermodynamically stable 1H phase of MoS2 is believed to influence critically properties of MoS2 based devices. This phase has been most often attributed to the metallic 1T phase. We investigate the electronic structure of chemically exfoliated MoS2 few layered systems using spatially resolved (lesser than 120 nm resolution) photoemission spectroscopy and Raman spectroscopy in conjunction with state-of-the-art electronic structure calculations. On the basis of these results, we establish that the ground state of this phase is a small gap (~90 meV) semiconductor in contrast to most claims in the literature; we also identify the specific trigonal (1T) structure it has among many suggested ones.
Single layers of MoS2 and MoSe2 were optically pumped with circularly polarized light and an appreciable polarization was initialized as the pump energy was varied. The circular polarization of the emitted photoluminescence was monitored as function of the difference between the excitation energy and the A-exciton emission at the K-point of the Brillouin zone. Our results show a threshold of twice the LA phonon energy, specific to the material, above which phonon-assisted intervalley scattering causes depolarization. In both materials this lead to almost complete depolarization within ~100 meV above the threshold energy. We identify the extra kinetic energy of the exciton (independent of whether it is neutral or charged) as the key parameter for presenting a unifying picture of the depolarization process.
We have decoupled the intrinsic optical and electrostatic effects arising in monolayer and few-layer molybdenum disulphide from those influenced by the flake-substrate interaction.
Quantum Monte Carlo (QMC) methods have been used to obtain accurate binding-energy data for pairs of parallel thin metallic wires and layers modeled by 1D and 2D homogeneous electron gases. We compare our QMC binding energies with results obtained within the random phase approximation, finding significant quantitative differences and disagreement over the asymptotic behavior for bilayers at low densities. We have calculated pair-correlation functions for metallic biwire and bilayer systems. Our QMC data could be used to investigate van der Waals energy functionals.
The nucleation and growth of single-layer molybdenum disulfide single domain islands is investigated by in situ low-energy electron microscopy. We study the growth of micron-sized flakes and the correlated flattening process of the gold surface for three different elevated temperatures. Furthermore, the influence of surface step edges on the molybdenum disulfide growth process is revealed. We show that both island and underlying terrace grow simultaneously by pushing the surface step in the expansion process. Our findings point to an optimized growth procedure allowing for step-free single-domain single-layer islands of several micrometers in size, which is likely transferable to other transition metal dichalcogenides.
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