Ultrafast Charge Transfer Enhancement in CdS-MoS<sub>2</sub> via a Linker Molecule

doi:10.1021/acs.jpcc.3c05037

	Ultrafast Charge Transfer Enhancement in CdS-MoS₂ via a Linker Molecule
	Ciesler, Matthew 1; Wang, Han2,3 ; Zhang, Shengbai 1; West, Damien 1
	2023-09-22
发表期刊	JOURNAL OF PHYSICAL CHEMISTRY C (IF:3.3[JCR-2023],3.5[5-Year])
ISSN	1932-7447
EISSN	1932-7455
卷号	127 期号:39 页码:19668-19674
发表状态	已发表
DOI	10.1021/acs.jpcc.3c05037
摘要	Hybrid systems, which take advantage of the low material dimensionality, have great potential for designing nanoscale devices. Quantum dots can be combined with two-dimensional (2D) monolayers to achieve success in photovoltaics and water splitting. In such colloidal systems, ligand molecules play an important role in stabilizing the nanostructures, but their role in heterostructure device performance is still poorly understood. In this study, time-dependent density functional theory is employed to explore how the cysteine ligand affects the charge transfer across the CdS-MoS2 heterostructure, at the ultrafast time scale. We show that the cysteine ligand enhances charge transfer, not only by coupling the CdS and MoS2 electronic states across the junction but also through enhanced electron-phonon coupling, where the carrier energy is quickly dissipated to high-frequency local vibrational modes arising from the lighter ligand atoms. This enhanced electron-phonon mechanism associated with the ligand is expected to be broadly applicable to most solution-based nanodevices.
关键词	Amino acids Charge transfer Density functional theory Electron-phonon interactions Hybrid systems II-VI semiconductors Layered semiconductors Ligands Molecules Molybdenum compounds Nanostructured materials Semiconductor quantum dots Sols Colloidal system Device performance Heterostructure devices Ligand molecules Linker molecules Nanoscale device Photovoltaics Two-dimensional Ultra-fast Water splitting
URL	查看原文
收录类别	SCI ; EI
语种	英语
资助项目	U.S. National Science Foundation (NSF)[DMREF-1627028] ; U.S. DOE[DE-SC0002623] ; NERSC under DOE Contract[DE-AC02-05CH11231]
WOS研究方向	Chemistry ; Science & Technology - Other Topics ; Materials Science
WOS类目	Chemistry, Physical ; Nanoscience & Nanotechnology ; Materials Science, Multidisciplinary
WOS记录号	WOS:001071400800001
出版者	AMER CHEMICAL SOC
EI入藏号	20234415004204
EI主题词	Cadmium sulfide
EI分类号	712.1 Semiconducting Materials ; 714.2 Semiconductor Devices and Integrated Circuits ; 761 Nanotechnology ; 801.4 Physical Chemistry ; 802.2 Chemical Reactions ; 804 Chemical Products Generally ; 804.1 Organic Compounds ; 921 Mathematics ; 922.1 Probability Theory ; 931.3 Atomic and Molecular Physics ; 931.4 Quantum Theory ; Quantum Mechanics ; 933 Solid State Physics ; 933.1 Crystalline Solids
原始文献类型	Journal article (JA)
引用统计	正在获取...
文献类型	期刊论文
条目标识符	https://kms.shanghaitech.edu.cn/handle/2MSLDSTB/340934
专题	物质科学与技术学院物质科学与技术学院_博士生
通讯作者	West, Damien
作者单位	1.Rensselaer Polytech Inst, Dept Phys Appl Phys & Astron, Troy, NY 12180 USA 2.ShanghaiTech Univ, Sch Phys Sci & Technol, Shanghai 201210, Peoples R China 3.ShanghaiTech Univ, Ctr Transformat Sci, Shanghai 201210, Peoples R China
推荐引用方式 GB/T 7714	Ciesler, Matthew,Wang, Han,Zhang, Shengbai,et al. Ultrafast Charge Transfer Enhancement in CdS-MoS₂ via a Linker Molecule[J]. JOURNAL OF PHYSICAL CHEMISTRY C,2023,127(39):19668-19674.
APA	Ciesler, Matthew,Wang, Han,Zhang, Shengbai,&West, Damien.(2023).Ultrafast Charge Transfer Enhancement in CdS-MoS₂ via a Linker Molecule.JOURNAL OF PHYSICAL CHEMISTRY C,127(39),19668-19674.
MLA	Ciesler, Matthew,et al."Ultrafast Charge Transfer Enhancement in CdS-MoS₂ via a Linker Molecule".JOURNAL OF PHYSICAL CHEMISTRY C 127.39(2023):19668-19674.