{"title":"Density functional theory and experimental study on the optical properties of calcium tungsten bronze","authors":"Rishun Na, Yongbo Ma, Luomeng Chao","doi":"10.1007/s10854-024-13883-9","DOIUrl":null,"url":null,"abstract":"<div><p>The alkaline earth metal tungsten bronze Ca<sub>0.1</sub>WO<sub>3</sub> was successfully synthesized using the solid-state reaction method. XRD, SEM, and TEM analyses confirmed the good crystallinity of the material, although severe particle aggregation was observed. Optical property tests revealed low absorption and reflection in the visible light region, and higher values in the near-infrared region for Ca<sub>0.1</sub>WO<sub>3</sub>. XPS measurements and DFT theoretical calculations suggested that the introduction of Ca ions transformed WO<sub>3</sub> from a semiconductor to a metallic state, with partial reduction of hexavalent W to pentavalent W. This introduced additional free electrons to the material, resulting in localized surface plasmon resonance (LSPR) effects under incident light, significantly enhancing its near-infrared absorption performance. These characteristics of alkaline earth metal tungsten bronze make it a potential candidate for transparent thermal insulation materials.</p></div>","PeriodicalId":646,"journal":{"name":"Journal of Materials Science: Materials in Electronics","volume":"35 33","pages":""},"PeriodicalIF":2.8000,"publicationDate":"2024-11-21","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":"0","resultStr":null,"platform":"Semanticscholar","paperid":null,"PeriodicalName":"Journal of Materials Science: Materials in Electronics","FirstCategoryId":"5","ListUrlMain":"https://link.springer.com/article/10.1007/s10854-024-13883-9","RegionNum":4,"RegionCategory":"工程技术","ArticlePicture":[],"TitleCN":null,"AbstractTextCN":null,"PMCID":null,"EPubDate":"","PubModel":"","JCR":"Q2","JCRName":"ENGINEERING, ELECTRICAL & ELECTRONIC","Score":null,"Total":0}
引用次数: 0
Abstract
The alkaline earth metal tungsten bronze Ca0.1WO3 was successfully synthesized using the solid-state reaction method. XRD, SEM, and TEM analyses confirmed the good crystallinity of the material, although severe particle aggregation was observed. Optical property tests revealed low absorption and reflection in the visible light region, and higher values in the near-infrared region for Ca0.1WO3. XPS measurements and DFT theoretical calculations suggested that the introduction of Ca ions transformed WO3 from a semiconductor to a metallic state, with partial reduction of hexavalent W to pentavalent W. This introduced additional free electrons to the material, resulting in localized surface plasmon resonance (LSPR) effects under incident light, significantly enhancing its near-infrared absorption performance. These characteristics of alkaline earth metal tungsten bronze make it a potential candidate for transparent thermal insulation materials.
期刊介绍：
The Journal of Materials Science: Materials in Electronics is an established refereed companion to the Journal of Materials Science. It publishes papers on materials and their applications in modern electronics, covering the ground between fundamental science, such as semiconductor physics, and work concerned specifically with applications. It explores the growth and preparation of new materials, as well as their processing, fabrication, bonding and encapsulation, together with the reliability, failure analysis, quality assurance and characterization related to the whole range of applications in electronics. The Journal presents papers in newly developing fields such as low dimensional structures and devices, optoelectronics including III-V compounds, glasses and linear/non-linear crystal materials and lasers, high Tc superconductors, conducting polymers, thick film materials and new contact technologies, as well as the established electronics device and circuit materials.
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