文献类型：期刊文献

英文题名：Predictions of electronic structures and optical performance of potential near infrared absorber Sn0.33WO3

作者：Liu, Changqing Shu, Qunwei Qin, Jingyun Yuan, Yi Qiu, Wei Peng, Ping Xiao, Lihua

第一作者：Liu, Changqing

通信作者：Liu, CQ[1]

机构：[1]Hunan Univ Arts & Sci, Coll Math & Phys Sci, Changde 415000, Peoples R China;[2]Guizhou Inst Technol, Guiyang 550003, Guizhou, Peoples R China;[3]Hunan Univ, Sch Mat Sci & Engn, Changsha 410082, Hunan, Peoples R China

第一机构：Hunan Univ Arts & Sci, Coll Math & Phys Sci, Changde 415000, Peoples R China

通信机构：corresponding author), Hunan Univ Arts & Sci, Coll Math & Phys Sci, Changde 415000, Peoples R China.

年份：2019

卷号：9

期号：11

外文期刊名：AIP ADVANCES

收录：;WOS:【SCI-EXPANDED(收录号:WOS:000504341600014)】；

基金：This work was partially supported by the National Natural Science Foundation of China (Grant Nos. 51776046, 61751501, and 61703157), the Guizhou Science and Technology Support Project (Grant Nos. Qiankehe Zhicheng [2017]2817, [2018]2835, and [2019]2830), the Guizhou Science and Technology Cooperation Project (Grant No. Qiankehe LH[2015]7098), the Science and Technology Project of Guizhou Province (Grant No. [2019]1133), and the Youth Science and Technology Talent Development Fund in Guizhou Provincial Department of Education (Grant No. [2018]250).

语种：英文

外文关键词：Calculations - Crystal structure - Electronic structure - Infrared absorption - Reflection - Tin compounds - Transparency - Tungsten compounds

摘要：For better synthesis and development of novel WO3-based near infrared absorbing materials for smart-window applications, the structural, electronic, and optical properties of hexagonal Sn0.33WO3 were investigated through the first-principles calculation. The optimized crystal structure parameters agree well with experimental values. The electronic structure shows that when Sn ions are doped in the host hexagonal WO3, Sn0.33WO3 displays a typical n-type electronic conductivity, which leads to an upshift of the Fermi energy to the conduction band. It was found that Sn0.33WO3 exhibits low reflectivity and weak absorption in the visible region, while exhibiting strong reflectivity and absorption in the near infrared light region. Therefore, it significantly reduces the optical transmittance of infrared wavelengths (down to 3.9% for the compacted film and 25.3% for the coated film), while maintaining fair optical transparency for visible wavelengths. This research indicates that Sn0.33WO3 is a prospective near infrared absorber and it can be used as near infrared shielding filters for smart windows with high transparency for visible light. (C) 2019 Author(s).