Thermal Transport Properties of Na2X (X = O and S) Monolayers

Xinxin Yan; Wei Cao; Haohuan Li

doi:10.3390/coatings12091294

Thermal Transport Properties of Na₂X (X = O and S) Monolayers

Xinxin Yan, Wei Cao^*, Haohuan Li^*

^*Corresponding author for this work

Research output: Contribution to journal › Article › peer-review

Abstract

Motivated by the excellent functional thin film devices made from two-dimensional materials, we investigated the thermal transport properties of Na₂X (X = O and S) monolayers using first-principle calculations. The thermal conductivity at room temperature was 1.055 W/mK and 1.822 W/mK for the Na₂O monolayers and Na₂S monolayers, respectively. The high thermal conductivity for the Na₂S monolayers is mainly contributed to by in-plane transverse acoustic (TA) phonons. The group velocity for the Na₂S monolayers exhibits lower group velocity and a larger phonon relaxation time than the Na₂O monolayers. Our results are helpful for functional thin film devices made using Na₂X (X = O and S) monolayers.

Original language	English
Article number	1294
Journal	Coatings
Volume	12
Issue number	9
DOIs	https://doi.org/10.3390/coatings12091294
State	Published - Sep 2022
Externally published	Yes

Keywords

first-principle calculations
phonon scattering
thermal conductivity
two-dimensional structure

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10.3390/coatings12091294

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title = "Thermal Transport Properties of Na2X (X = O and S) Monolayers",

abstract = "Motivated by the excellent functional thin film devices made from two-dimensional materials, we investigated the thermal transport properties of Na2X (X = O and S) monolayers using first-principle calculations. The thermal conductivity at room temperature was 1.055 W/mK and 1.822 W/mK for the Na2O monolayers and Na2S monolayers, respectively. The high thermal conductivity for the Na2S monolayers is mainly contributed to by in-plane transverse acoustic (TA) phonons. The group velocity for the Na2S monolayers exhibits lower group velocity and a larger phonon relaxation time than the Na2O monolayers. Our results are helpful for functional thin film devices made using Na2X (X = O and S) monolayers.",

keywords = "first-principle calculations, phonon scattering, thermal conductivity, two-dimensional structure",

author = "Xinxin Yan and Wei Cao and Haohuan Li",

note = "Publisher Copyright: {\textcopyright} 2022 by the authors.",

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month = sep,

doi = "10.3390/coatings12091294",

language = "אנגלית",

volume = "12",

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T1 - Thermal Transport Properties of Na2X (X = O and S) Monolayers

AU - Yan, Xinxin

AU - Cao, Wei

AU - Li, Haohuan

PY - 2022/9

Y1 - 2022/9

N2 - Motivated by the excellent functional thin film devices made from two-dimensional materials, we investigated the thermal transport properties of Na2X (X = O and S) monolayers using first-principle calculations. The thermal conductivity at room temperature was 1.055 W/mK and 1.822 W/mK for the Na2O monolayers and Na2S monolayers, respectively. The high thermal conductivity for the Na2S monolayers is mainly contributed to by in-plane transverse acoustic (TA) phonons. The group velocity for the Na2S monolayers exhibits lower group velocity and a larger phonon relaxation time than the Na2O monolayers. Our results are helpful for functional thin film devices made using Na2X (X = O and S) monolayers.

AB - Motivated by the excellent functional thin film devices made from two-dimensional materials, we investigated the thermal transport properties of Na2X (X = O and S) monolayers using first-principle calculations. The thermal conductivity at room temperature was 1.055 W/mK and 1.822 W/mK for the Na2O monolayers and Na2S monolayers, respectively. The high thermal conductivity for the Na2S monolayers is mainly contributed to by in-plane transverse acoustic (TA) phonons. The group velocity for the Na2S monolayers exhibits lower group velocity and a larger phonon relaxation time than the Na2O monolayers. Our results are helpful for functional thin film devices made using Na2X (X = O and S) monolayers.

KW - first-principle calculations

KW - phonon scattering

KW - thermal conductivity

KW - two-dimensional structure

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Thermal Transport Properties of Na₂X (X = O and S) Monolayers

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