2013
DOI: 10.1063/1.4792530
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Improvement of heat transfer efficiency at solid-gas interfaces by self-assembled monolayers

Abstract: Using molecular dynamics simulations, we demonstrate that the efficiency of heat exchange between a solid and a gas can be maximized by functionalizing solid surface with organic self-assembled monolayers (SAMs). We observe that for bare metal surfaces, the thermal accommodation coefficient (TAC) strongly depends on the solid-gas interaction strength. For metal surfaces modified with organic SAMs, the TAC is close to its theoretical maximum and is essentially independent from the SAM-gas interaction strength. … Show more

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Cited by 34 publications
(22 citation statements)
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“…For temperatures beyond 1000 K, the direct resistance increases with increasing particle temperature. This increase is characteristic of gases in contact with hot solid surfaces 27,28 and is associated with decreasing gas density. In Fig.…”
Section: A MD Simulationmentioning
confidence: 96%
See 1 more Smart Citation
“…For temperatures beyond 1000 K, the direct resistance increases with increasing particle temperature. This increase is characteristic of gases in contact with hot solid surfaces 27,28 and is associated with decreasing gas density. In Fig.…”
Section: A MD Simulationmentioning
confidence: 96%
“…Such a linear variation is characteristic of gases in contact with a solid. [27][28][29] fluid layer for nanoparticles smaller than 20 Å in radius or due to explicit phase change de-wetting for larger nanoparticles. We call this temperature the de-wetting temperature and according to Fig.…”
Section: A MD Simulationmentioning
confidence: 99%
“…The phonon spectra of hard and soft materials usually have large mismatch due to distinct compositions and bond natures. Binding strength at the interface is another critical factor that influences thermal transport . The interfaces between hard and soft materials are usually dominated by weak van der Waals (vdW) interactions and thus present large interfacial thermal resistance .…”
mentioning
confidence: 99%
“…[17][18][19][20][21][22][23][24][25][26][27][28] Molecular beam scattering experiments and molecular dynamics (MD) simulations revealed the dominant factors determining the energy exchange efficiency for a variety of gas/SAM surface systems such as the mass of a gas molecule and the terminal group of SAM molecules, [19][20][21][22] attractive forces between gas molecules and the SAM terminal groups, 21,[23][24][25] surface stiffness due to intramonolayer hydrogen bonding, 21,23,26 the chain length of SAM molecules, 26 the deformation of SAM chains, 19,20,27,28 and the penetration of gas molecules into SAM layer. 28 The versatility of functional groups and tail length makes SAMs attractive for surface coatings to control gassurface interactions.…”
Section: Introductionmentioning
confidence: 99%