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• W2922385905 abstract "In addition to their unique optical and electronic properties, two-dimensional materials provide opportunities to directly observe atomic-scale defect dynamics. Here we use scanning transmission electron microscopy to observe substitutional Re impurities in monolayer MoS_{2} undergo direct exchanges with neighboring Mo atoms in the lattice. Density-functional-theory calculations find that the energy barrier for direct exchange, a process that has only been studied as a diffusion mechanism in bulk materials, is too large for either thermal activation or energy directly transferred from the electron beam. The presence of multiple sulfur vacancies next to the exchanged Re-Mo pair, as observed by electron microscopy, does not lower the energy barrier sufficiently to account for the observed atomic exchange. Instead, the calculations find that a Re dopant and surrounding sulfur vacancies introduce an ever-changing set of deep levels in the energy gap. We propose that these levels mediate an explosive recombination-enhanced migration via multiple electron-hole recombination events. As a proof of concept, we also show that Re-Mo direct exchange can be triggered via controlled creation of sulfur vacancies. The present experimental and theoretical findings lay a fundamental framework towards manipulating single substitutional dopants in two-dimensional materials." @default.
• W2922385905 created "2019-03-22" @default.
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• W2922385905 date "2019-03-11" @default.
• W2922385905 modified "2023-10-14" @default.
• W2922385905 title "Direct Cation Exchange in Monolayer MoS2 via Recombination-Enhanced Migration" @default.
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• W2922385905 doi "https://doi.org/10.1103/physrevlett.122.106101" @default.
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• W2922385905 hasPublicationYear "2019" @default.
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