{"title":"碳气凝胶粒子红外消光特性的模拟","authors":"Zhaoliang Yu, Shuang Xu, Wenlian Peng, Jianfeng Zhao, Qinghai Liu, Xiaodong Dai","doi":"10.1021/acs.jpcc.4c07463","DOIUrl":null,"url":null,"abstract":"Based on the finite-difference time-domain method, the effects of pore radius (<i>r</i>), porosity(<i>P</i>), and particle radius (<i>R</i>) on the infrared extinction performance of carbon aerogel particles are studied, and the extinction mechanism of carbon aerogel particles is also revealed, which can provide a guide for the development of highly efficient infrared extinction materials. Calculated results show that for infrared of 5 and 8 μm wavelengths, the mass extinction coefficients (MECs) of carbon aerogel particles show a trend of first increasing and then decreasing with the increase of r or <i>R</i>, while they continue to increase with the increase of <i>P</i>. At a specific wavelength, carbon aerogel particles have optimal <i>r</i> and optimal <i>R</i>, and at this time, the MECs have maximum values. The values of optimal <i>r</i> increase with the increase of <i>P</i>, while for different porosities, the values of optimal <i>R</i> are basically the same. The attenuation of infrared radiation by carbon aerogel particles is mainly absorption attenuation, which varies less with <i>r</i>, increases with the increase of <i>P</i>, and decreases with the increase of <i>R</i>. Under the action of an external electromagnetic field, the π-electrons in the carbon aerogel skeleton undergo a localized surface plasmon effect. With the increase of porosity, the electric field strength and the electric field enhancement region at the particle holes increase, and more light energy is converted into heat energy and dissipated.","PeriodicalId":61,"journal":{"name":"The Journal of Physical Chemistry C","volume":"16 1","pages":""},"PeriodicalIF":3.2000,"publicationDate":"2025-03-17","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":"0","resultStr":"{\"title\":\"Simulation of Infrared Extinction Characteristics of Carbon Aerogel Particles\",\"authors\":\"Zhaoliang Yu, Shuang Xu, Wenlian Peng, Jianfeng Zhao, Qinghai Liu, Xiaodong Dai\",\"doi\":\"10.1021/acs.jpcc.4c07463\",\"DOIUrl\":null,\"url\":null,\"abstract\":\"Based on the finite-difference time-domain method, the effects of pore radius (<i>r</i>), porosity(<i>P</i>), and particle radius (<i>R</i>) on the infrared extinction performance of carbon aerogel particles are studied, and the extinction mechanism of carbon aerogel particles is also revealed, which can provide a guide for the development of highly efficient infrared extinction materials. Calculated results show that for infrared of 5 and 8 μm wavelengths, the mass extinction coefficients (MECs) of carbon aerogel particles show a trend of first increasing and then decreasing with the increase of r or <i>R</i>, while they continue to increase with the increase of <i>P</i>. At a specific wavelength, carbon aerogel particles have optimal <i>r</i> and optimal <i>R</i>, and at this time, the MECs have maximum values. The values of optimal <i>r</i> increase with the increase of <i>P</i>, while for different porosities, the values of optimal <i>R</i> are basically the same. The attenuation of infrared radiation by carbon aerogel particles is mainly absorption attenuation, which varies less with <i>r</i>, increases with the increase of <i>P</i>, and decreases with the increase of <i>R</i>. Under the action of an external electromagnetic field, the π-electrons in the carbon aerogel skeleton undergo a localized surface plasmon effect. With the increase of porosity, the electric field strength and the electric field enhancement region at the particle holes increase, and more light energy is converted into heat energy and dissipated.\",\"PeriodicalId\":61,\"journal\":{\"name\":\"The Journal of Physical Chemistry C\",\"volume\":\"16 1\",\"pages\":\"\"},\"PeriodicalIF\":3.2000,\"publicationDate\":\"2025-03-17\",\"publicationTypes\":\"Journal Article\",\"fieldsOfStudy\":null,\"isOpenAccess\":false,\"openAccessPdf\":\"\",\"citationCount\":\"0\",\"resultStr\":null,\"platform\":\"Semanticscholar\",\"paperid\":null,\"PeriodicalName\":\"The Journal of Physical Chemistry C\",\"FirstCategoryId\":\"1\",\"ListUrlMain\":\"https://doi.org/10.1021/acs.jpcc.4c07463\",\"RegionNum\":3,\"RegionCategory\":\"化学\",\"ArticlePicture\":[],\"TitleCN\":null,\"AbstractTextCN\":null,\"PMCID\":null,\"EPubDate\":\"\",\"PubModel\":\"\",\"JCR\":\"Q2\",\"JCRName\":\"CHEMISTRY, PHYSICAL\",\"Score\":null,\"Total\":0}","platform":"Semanticscholar","paperid":null,"PeriodicalName":"The Journal of Physical Chemistry C","FirstCategoryId":"1","ListUrlMain":"https://doi.org/10.1021/acs.jpcc.4c07463","RegionNum":3,"RegionCategory":"化学","ArticlePicture":[],"TitleCN":null,"AbstractTextCN":null,"PMCID":null,"EPubDate":"","PubModel":"","JCR":"Q2","JCRName":"CHEMISTRY, PHYSICAL","Score":null,"Total":0}
Simulation of Infrared Extinction Characteristics of Carbon Aerogel Particles
Based on the finite-difference time-domain method, the effects of pore radius (r), porosity(P), and particle radius (R) on the infrared extinction performance of carbon aerogel particles are studied, and the extinction mechanism of carbon aerogel particles is also revealed, which can provide a guide for the development of highly efficient infrared extinction materials. Calculated results show that for infrared of 5 and 8 μm wavelengths, the mass extinction coefficients (MECs) of carbon aerogel particles show a trend of first increasing and then decreasing with the increase of r or R, while they continue to increase with the increase of P. At a specific wavelength, carbon aerogel particles have optimal r and optimal R, and at this time, the MECs have maximum values. The values of optimal r increase with the increase of P, while for different porosities, the values of optimal R are basically the same. The attenuation of infrared radiation by carbon aerogel particles is mainly absorption attenuation, which varies less with r, increases with the increase of P, and decreases with the increase of R. Under the action of an external electromagnetic field, the π-electrons in the carbon aerogel skeleton undergo a localized surface plasmon effect. With the increase of porosity, the electric field strength and the electric field enhancement region at the particle holes increase, and more light energy is converted into heat energy and dissipated.
期刊介绍:
The Journal of Physical Chemistry A/B/C is devoted to reporting new and original experimental and theoretical basic research of interest to physical chemists, biophysical chemists, and chemical physicists.