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- W4310141787 abstract "Transition-metal dichalcogenide (TMD) nanotubes with small band gap exhibit higher photocurrent than their layered counterparts [J. H. Smet and Y. Iwasa, Nature (London) 570, 349 (2019); X. Zhou et al., Small 15, 1902528 (2019)], but the mechanism remains unclear. Herein, using ${mathrm{WS}}_{2}$ as an example, we revealed that the higher photovoltaic effect of the nanotubes originates from the quantum coherence between the band edges in the perspective of photogenerated carrier recombination. By using first-principles calculations and nonadiabatic molecular dynamics simulations, we revealed that small nonadiabatic coupling and short pure-dephasing time improve the photogenerated carrier lifetime and increase the photocurrent of ${mathrm{WS}}_{2}$ nanotubes. Moreover, an extremum of carrier lifetime in ${mathrm{WS}}_{2}$ nanotubes is found at a certain diameter, where the nanotube exhibits the longest carrier lifetime. The insights into the high photocurrent of TMD nanotubes may provide ideas for the design of advanced optoelectronic devices." @default.
- W4310141787 created "2022-11-30" @default.
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- W4310141787 date "2022-11-28" @default.
- W4310141787 modified "2023-10-17" @default.
- W4310141787 title "Quantum coherence enhanced carrier lifetime of <mml:math xmlns:mml=http://www.w3.org/1998/Math/MathML><mml:msub><mml:mi>WS</mml:mi><mml:mn>2</mml:mn></mml:msub></mml:math> nanotubes: A time-domain <i>ab initio</i> study" @default.
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- W4310141787 doi "https://doi.org/10.1103/physrevb.106.205308" @default.
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