| Title | New Pathway for Hot Electron Relaxation in Two-Dimensional Heterostructures |
| Authors | Zhang, Jin Hong, Hao Zhang, Jia Fu, Huixia You, Peiwei Lischner, Johannes Liu, Kaihui Kaxiras, Efthimios Meng, Sheng |
| Affiliation | Chinese Acad Sci, Beijing Natl Lab Condensed Matter Phys, Beijing 100190, Peoples R China. Chinese Acad Sci, Inst Phys, Beijing 100190, Peoples R China. Peking Univ, Sch Phys, State Key Lab Mesoscop Phys, Beijing 100871, Peoples R China. Imperial Coll London, Dept Mat, London SW7 2AZ, England. Imperial Coll London, Dept Phys, London SW7 2AZ, England. Imperial Coll London, Thomas Young Ctr Theory & Simulat Mat, London SW7 2AZ, England. Harvard Univ, Dept Phys, Cambridge, MA 02138 USA. Harvard Univ, Sch Engn & Appl Sci, Cambridge, MA 02138 USA. Univ Chinese Acad Sci, Sch Phys Sci, Beijing 100049, Peoples R China. Collaborat Innovat Ctr Quantum Matter, Beijing 100190, Peoples R China. Chinese Acad Sci, Beijing Natl Lab Condensed Matter Phys, Beijing 100190, Peoples R China. Meng, S (reprint author), Chinese Acad Sci, Inst Phys, Beijing 100190, Peoples R China. Liu, KH (reprint author), Peking Univ, Sch Phys, State Key Lab Mesoscop Phys, Beijing 100871, Peoples R China. Kaxiras, E (reprint author), Harvard Univ, Dept Phys, Cambridge, MA 02138 USA. Kaxiras, E (reprint author), Harvard Univ, Sch Engn & Appl Sci, Cambridge, MA 02138 USA. Meng, S (reprint author), Univ Chinese Acad Sci, Sch Phys Sci, Beijing 100049, Peoples R China. Liu, KH Meng, S (reprint author), Collaborat Innovat Ctr Quantum Matter, Beijing 100190, Peoples R China. |
| Keywords | 2D heterostructures van der Waals coupling ultrafast charge dynamics hot-electron relaxation time-domain density functional theory ULTRAFAST CHARGE-TRANSFER DER-WAALS HETEROSTRUCTURES 2D SEMICONDUCTOR HETEROSTRUCTURE THIN MOS2/WS2 HETEROSTRUCTURES AUGMENTED-WAVE METHOD MOLECULAR-DYNAMICS HIGHLY EFFICIENT INTERFACE SEPARATION APPROXIMATION |
| Issue Date | 2018 |
| Publisher | NANO LETTERS |
| Citation | NANO LETTERS. 2018, 18(9), 6057-6063. |
| Abstract | Two-dimensional (2D) heterostructures composed of transition-metal dichalcogenide atomic layers are the new frontier for novel optoelectronic and photovoltaic device applications. Some key properties that make these materials appealing, yet are not well understood, are ultrafast hole/electron dynamics, interlayer energy transfer and the formation of interlayer hot excitons. Here, we study photoexcited electron/hole dynamics in a representative heterostructure, the MoS2/WSe2 interface, which exhibits type II band alignment. Employing time-dependent density functional theory in the time domain, we observe ultrafast charge dynamics with lifetimes of tens to hundreds of femtoseconds. Most importantly, we report the discovery of an interfacial pathway in 2D heterostructures for the relaxation of photoexcited hot electrons through interlayer hopping, which is significantly faster than intralayer relaxation. This finding is of particular importance for understanding many experimentally observed photoinduced processes, including charge and energy transfer at an ultrafast time scale (<1 ps). |
| URI | http://hdl.handle.net/20.500.11897/517340 |
| ISSN | 1530-6984 |
| DOI | 10.1021/acs.nanolett.8b03005 |
| Indexed | SCI(E) EI PubMed |
| Appears in Collections: | 物理学院 人工微结构和介观物理国家重点实验室 |
