Charge Separation in Monolayer WSe2 by Strain Engineering: Implications for Strain-Induced Diode Action

Chen, Zhuofa; Luo, Weijun; Liang, Liangbo; Ling, Xi; Swan, Anna K.

doi:10.1021/acsanm.2c03264

Title: Charge Separation in Monolayer WSe₂ by Strain Engineering: Implications for Strain-Induced Diode Action

Journal Article · Mon Oct 03 00:00:00 EDT 2022 · ACS Applied Nano Materials

DOI:https://doi.org/10.1021/acsanm.2c03264· OSTI ID:1896992

^[1]; Luo, Weijun ^[1];

^[2];

^[1]; Swan, Anna K. ^[1]

Boston Univ., MA (United States)
Oak Ridge National Lab. (ORNL), Oak Ridge, TN (United States)

Strain-engineering band structure in transition-metal dichalcogenides (TMDC) is a promising avenue toward capabilities in optoelectronics. For example, controlling the flow of optically generated quasiparticles can be achieved by a localized strain field which reduces the bandgap and generates an energy-band gradient that funnels neutral excitons to the strain apex. It would be even more advantageous to mimic a diode’s internal field, where both conduction and valence bands bend in the same direction, to separate electrons and holes. This can be achieved if the strain in the TMDC layer lowers both the conduction band minimum as well as the valence band maximum during strain-induced band narrowing. Here, we have used density functional theory (DFT) calculations of monolayer WSe₂ electronic structure under biaxial strain to show that WSe₂ has this property. In this work, to test the band bending experimentally, we combined localized strain with electrostatic doping to follow photoluminescence from excitons and positive or negative trions. In unstrained WSe₂, both positive and negative trion emissions dominate over excitons away from charge neutrality. In contrast, for strained areas, negative trions accumulate, while positive trion emission is near zero away from charge neutrality, indicating a lack of holes. Hence, strain bends both conduction and valence bands down, similarly to the band bending in a PN-diode depletion region, providing an opportunity to separate electrons and holes via localized strain.

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Research Organization:: Oak Ridge National Laboratory (ORNL), Oak Ridge, TN (United States)

Sponsoring Organization:: USDOE Office of Science (SC), Basic Energy Sciences (BES); National Science Foundation (NSF)

Grant/Contract Number:: AC05-00OR22725; SC0021064; 1945364

OSTI ID:: 1896992

Journal Information:: ACS Applied Nano Materials, Vol. 5, Issue 10; ISSN 2574-0970

Publisher:: American Chemical Society (ACS)Copyright Statement

Country of Publication:: United States

Language:: English

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Title: Charge Separation in Monolayer WSe2 by Strain Engineering: Implications for Strain-Induced Diode Action

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Title: Charge Separation in Monolayer WSe₂ by Strain Engineering: Implications for Strain-Induced Diode Action