Dramatically Prolonged Photoexcited Carrier Lifetimes in Group-III Monochalcogenide Heterostructures through Stacking Modulation DOI
Zhijun Yan, Yifan Wu, Tianqi Bao

et al.

The Journal of Physical Chemistry Letters, Journal Year: 2025, Volume and Issue: unknown, P. 4286 - 4295

Published: April 23, 2025

Modulating the carrier dynamics to achieve effective separation of photoexcited carriers is crucial for enhancing photoelectric conversion efficiency and advancing high-performance optoelectronic devices. A prototype group-III monochalcogenide heterostructure, GaSe/GaTe, has been proposed exhibit a superior light-harvesting capability highly tunable charge characteristics via nonadiabatic molecular (NAMD) simulations. The significant influence stacking patterns on revealed, with electron (hole) transfer occurring within 97 (40) 390 (126) fs, while lifetime dramatically prolonged from 12 213 ns, facilitating electron-hole (e-h) pair separation. Notably, AA' A'A configurations demonstrate remarkably extended lifetimes 161 respectively, exceeding those observed in other 2D heterostructures. weak coupling low-frequency phonon vibrational modes suppress e-h recombination, leading lifetime. These findings offer atomic insights into stacking-dependent dynamics, device design.

Language: Английский

Dramatically Prolonged Photoexcited Carrier Lifetimes in Group-III Monochalcogenide Heterostructures through Stacking Modulation DOI
Zhijun Yan, Yifan Wu, Tianqi Bao

et al.

The Journal of Physical Chemistry Letters, Journal Year: 2025, Volume and Issue: unknown, P. 4286 - 4295

Published: April 23, 2025

Modulating the carrier dynamics to achieve effective separation of photoexcited carriers is crucial for enhancing photoelectric conversion efficiency and advancing high-performance optoelectronic devices. A prototype group-III monochalcogenide heterostructure, GaSe/GaTe, has been proposed exhibit a superior light-harvesting capability highly tunable charge characteristics via nonadiabatic molecular (NAMD) simulations. The significant influence stacking patterns on revealed, with electron (hole) transfer occurring within 97 (40) 390 (126) fs, while lifetime dramatically prolonged from 12 213 ns, facilitating electron-hole (e-h) pair separation. Notably, AA' A'A configurations demonstrate remarkably extended lifetimes 161 respectively, exceeding those observed in other 2D heterostructures. weak coupling low-frequency phonon vibrational modes suppress e-h recombination, leading lifetime. These findings offer atomic insights into stacking-dependent dynamics, device design.

Language: Английский

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