Journal
JOURNAL OF APPLIED PHYSICS
Volume 130, Issue 20, Pages -Publisher
AIP Publishing
DOI: 10.1063/5.0070269
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Funding
- National Natural Science Foundation of China [51790494, 52072209, 12088101]
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The study found that the out-of-plane phonon of hBN strongly couples with the WSe2 out-of-plane A(1)' phonon at the interface, enhancing the electron-phonon interaction and accelerating the electron-hole recombination dynamics.
Photogenerated charge carrier dynamics at the WSe2/hBN van der Waals interface play an important role in optical device applications. The carrier behavior has been argued to be related to the interlayer phonon-phonon interaction in the heterostructure. However, the effect of the interlayer coupling on the electron-hole recombination dynamics is still unclear. Using the ab initio nonadiabatic molecular dynamics approach, we investigate the photoexcited electron dynamics at the interface, which has a type I energy alignment. The out-of-plane phonon of hBN is found to strongly couple with the WSe2 out-of-plane A(1)' phonon, enhancing the electron-phonon interaction and accelerating the electron-hole recombination compared to pristine WSe2. Our work provides valuable guidance on the design of novel two-dimensional optoelectronic and opto-phononic devices. Published under an exclusive license by AIP Publishing.
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