期刊
NANO LETTERS
卷 17, 期 1, 页码 220-227出版社
AMER CHEMICAL SOC
DOI: 10.1021/acs.nanolett.6b03894
关键词
Nanoscale; molecular junctions; binary monolayers; thermal transport; thermoreflectance; molecular dynamics
类别
资金
- National Science Foundation (NSF) [ENG-1149374]
- NSF Award [CCF-0811770]
- American Chemical Society (ACS) PRF DNI Award [PRFS1423DN10]
- Department of Energy [DE-EE0006702]
- Bushnell Fellowship for Engineering - College of Engineering, Carnegie Mellon University
- Directorate For Engineering
- Div Of Chem, Bioeng, Env, & Transp Sys [1149374] Funding Source: National Science Foundation
The effect of the local molecular environment on thermal transport through organic inorganic heterojunctions is investigated using binary self-assembled monolayer (SAM) junctions built from a mixture of alkanethiol and alkanedithiol species sandwiched between gold leads. Thermoreflectance measurements and molecular dynamics simulations demonstrate that the thermal conductances of the binary SAM junctions vary with molecular composition and are greater than predictions of a parallel resistance model. The enhancement results from increased thermal transport through the alkanethiols, whose terminal methyl groups are confined by the anchored alkanedithiols. This confinement effect extends over length scales that are more than twice the range of the van der Waals interactions between molecules and are commensurate to the sizes of experimentally observed molecular domains. Conversely, for a partially packed (i.e., submonolayer) alkanedithiol unary SAM, increasing the molecular packing density decreases the per molecule thermal conductance. This finding indicates that thermal transport measurements of SAMs cannot be used to predict the thermal transport properties of single molecules.
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