Park, Soohyung Wang, Haiyuan Schultz, Thorsten Shin, Dongguen Ovsyannikov, Ruslan Zacharias, Marios Maksimov, Dmitrii Meissner, Matthias Hasegawa, Yuri Yamaguchi, Takuma Kera, Satoshi Aljarb, Areej Hakami, Mariam Li, Lain-Jong Tung, Vincent Amsalem, Patrick Rossi, Mariana Koch, Norbert 2024-01-19T14:30:52Z 2024-01-19T14:30:52Z 2021-10-21 2021-07 0935-9648 https://pubs.kist.re.kr/handle/201004/116818 Electronic charge rearrangement between components of a heterostructure is the fundamental principle to reach the electronic ground state. It is acknowledged that the density of state distribution of the components governs the amount of charge transfer, but a notable dependence on temperature is not yet considered, particularly for weakly interacting systems. Here, it is experimentally observed that the amount of ground-state charge transfer in a van der Waals heterostructure formed by monolayer MoS2 sandwiched between graphite and a molecular electron acceptor layer increases by a factor of 3 when going from 7 K to room temperature. State-of-the-art electronic structure calculations of the full heterostructure that accounts for nuclear thermal fluctuations reveal intracomponent electron-phonon coupling and intercomponent electronic coupling as the key factors determining the amount of charge transfer. This conclusion is rationalized by a model applicable to multicomponent van der Waals heterostructures. English WILEY-V C H VERLAG GMBH MONOLAYER MOS2 SEMICONDUCTORS BANDGAP SURFACE IMPACT ENERGY ATOM Temperature-Dependent Electronic Ground-State Charge Transfer in van der Waals Heterostructures Article 10.1002/adma.202008677 1 ADVANCED MATERIALS, v.33, no.29 ADVANCED MATERIALS 33 29 scie scopus 000653748100001 2-s2.0-85106264247 Chemistry, Multidisciplinary Chemistry, Physical Nanoscience & Nanotechnology Materials Science, Multidisciplinary Physics, Applied Physics, Condensed Matter Chemistry Science & Technology - Other Topics Materials Science Physics Article MONOLAYER MOS2 SEMICONDUCTORS BANDGAP SURFACE IMPACT ENERGY ATOM 2D semiconductors charge transfer electron&#8211 phonon coupling molecular dopants MoS (2) photoelectron spectroscopy