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This research explores how atomic displacements in twisted MoSe2/WSe2 bilayers affect electronic properties and exciton formation.

April 19, 2026ACS Nano

Atomic Displacements Drive Flat Band Formation and Lateral Electron and Hole Separation in Near-60° Twisted MoSe ₂ /WSe ₂ Bilayers

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This research explores how atomic displacements in twisted MoSe2/WSe2 bilayers affect electronic properties and exciton formation.
Used ab initio density functional theory for analysis.
Examined near-60° twisted MoSe2/WSe2 bilayers.
Investigated the emergence of flat bands and their effects on electron-hole dynamics.
Spectrally isolated valence and conduction band flat bands emerge at approximately 3° twist.
Atomic displacement creates a polarization gradient that forms a confining potential.
Electrons and holes become laterally separated within the moiré supercell.

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Ab initio analysis shows flat bands influence lateral electron and hole separation in TMD bilayers, indicating novel excitonic behavior.

Phillips et al. (2026) studied this question.

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