Thermal transport in amorphous small organic materials: a mechanistic study.

Clicks: 381
ID: 85490
2020
Article Quality & Performance Metrics
Overall Quality
Not rated
Combines reader engagement with the AI quality analysis. This article has not been analysed, so there is no overall score — reader engagement is measured and shown alongside.
AI Quality Assessment
Not analyzed
Readership in this journal
Emerging

Ranked #17 of 184 articles by views in Physical chemistry chemical physics : PCCP

Most read Least read

Bar heights use a square-root scale. Only the 120 most-read articles are drawn; the journal has 184 in total.

Mint this article as an NFT
Not yet minted

Create a permanent, verifiable on-chain record of this article on the Scimatic Network. The NFT is held in your Journament account, and you can withdraw it to your own wallet at any time.

5 SUSD one-off · no wallet required
Sign in to mint
Abstract
Understanding the thermal transport mechanisms in amorphous organic materials is of great importance to solve hot-spot issues in organic-electronics nanodevices. Here we studied thermal transport in two popular molecular electronic materials, N,N-dicarbazolyl-3,5-benzene (mCP) and N,N'-diphenyl-N,N'-di(3-methylphenyl)-(1,1'-biphenyl)-4,4'diamine (TPD), in the amorphous state by molecular dynamics simulations. We found that due to the softness of organic materials, the low thermal conductivity of both systems can be greatly enhanced under pressure. Notably, in such systems, the convective term of heat flux provides an important contribution to thermal transport as it cross-correlates with the Virial term in the Green-Kubo formula. Mode diffusivity calculations reveal that low-frequency modes can contribute significantly to thermal transport in both mCP and TPD. By increasing the pressure, the sound velocity and relaxation time of such low-frequency modes can be enhanced, and a part of these modes converts from diffusons to propagons. The cooperation of these three effects is responsible for the strong pressure dependence of thermal transport in amorphous organic systems. Molecular pair heat flux calculations demonstrate that heat transfer mainly happens between pairs of molecules with distances below 1.4 nm. This work paves the way for the optimization of thermal transport in amorphous organic materials widely used in opto-electronics, e.g. as OLED and OPV.
Reference Key
zhou2020thermalphysical Use this key to autocite in the manuscript while using SciMatic Manuscript Manager or Thesis Manager
Authors Zhou, Tian;Li, Zhuhong;Cheng, Yajuan;Ni, Yuxiang;Volz, Sebastian;Donadio, Davide;Xiong, Shiyun;Zhang, Wenqing;Zhang, Xiaohong;
Journal Physical chemistry chemical physics : PCCP
Year 2020
DOI
10.1039/c9cp05938e
URL
Keywords
cardiac resynchronization therapy atrioventricular delay biventricular pacing left ventricular remodeling

Citations

No citations found. To add a citation, contact the admin at info@scimatic.org

Comments

No comments yet. Be the first to comment on this article.