Huifeng Xu , Pengfei Wang , Saiwei Luan , Lixia Cheng , Zhenxiao Fu , Xiuhua Cao , Lei Zhang , Shuhui Yu , Rong Sun
{"title":"Vacancy engineering for high tetragonal BaTiO3 synthesized by solid-state approaches","authors":"Huifeng Xu , Pengfei Wang , Saiwei Luan , Lixia Cheng , Zhenxiao Fu , Xiuhua Cao , Lei Zhang , Shuhui Yu , Rong Sun","doi":"10.1016/j.powtec.2024.119955","DOIUrl":null,"url":null,"abstract":"<div><p>Conventionally, tetragonality in BaTiO<sub>3</sub> powder is attributed to grain size, disregarding the role of Ba/Ti ratio. However, our study reveals a significant impact of Ba/Ti ratio on tetragonality in BaTiO<sub>3</sub>. With an increase in Ba/Ti ratio from 0.990 to 1.010, particle size remains around 200 nm. Tetragonality initially rises from 1.006 to a maximum of 1.0092 at Ba/Ti = 1.000, then decreases to 1.005. Lower tetragonality is associated with Ba or Ti vacancies, using density functional theory (DFT), we analyzed the electron density and lattice distinction in BaTiO<sub>3</sub> powders. Both Ba and Ti vacancies affect lattice distortion, <u>the</u> Ti vacancies leading to more significant lattice expansion and lower tetragonality than Ba vacancies. Using this powder, we fabricated high-density BaTiO<sub>3</sub> ceramics and multi-layer ceramics capacitors (MLCCs) with X7R temperature stability (−55 to 125 °C, ±15% coefficient) and excellent reliability. This strategy has broad implications for tetragonal BaTiO<sub>3</sub> nanopowders and MLCCs development.</p></div>","PeriodicalId":407,"journal":{"name":"Powder Technology","volume":null,"pages":null},"PeriodicalIF":4.5000,"publicationDate":"2024-06-13","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":"0","resultStr":null,"platform":"Semanticscholar","paperid":null,"PeriodicalName":"Powder Technology","FirstCategoryId":"5","ListUrlMain":"https://www.sciencedirect.com/science/article/pii/S0032591024005989","RegionNum":2,"RegionCategory":"工程技术","ArticlePicture":[],"TitleCN":null,"AbstractTextCN":null,"PMCID":null,"EPubDate":"","PubModel":"","JCR":"Q2","JCRName":"ENGINEERING, CHEMICAL","Score":null,"Total":0}
引用次数: 0
Abstract
Conventionally, tetragonality in BaTiO3 powder is attributed to grain size, disregarding the role of Ba/Ti ratio. However, our study reveals a significant impact of Ba/Ti ratio on tetragonality in BaTiO3. With an increase in Ba/Ti ratio from 0.990 to 1.010, particle size remains around 200 nm. Tetragonality initially rises from 1.006 to a maximum of 1.0092 at Ba/Ti = 1.000, then decreases to 1.005. Lower tetragonality is associated with Ba or Ti vacancies, using density functional theory (DFT), we analyzed the electron density and lattice distinction in BaTiO3 powders. Both Ba and Ti vacancies affect lattice distortion, the Ti vacancies leading to more significant lattice expansion and lower tetragonality than Ba vacancies. Using this powder, we fabricated high-density BaTiO3 ceramics and multi-layer ceramics capacitors (MLCCs) with X7R temperature stability (−55 to 125 °C, ±15% coefficient) and excellent reliability. This strategy has broad implications for tetragonal BaTiO3 nanopowders and MLCCs development.
期刊介绍:
Powder Technology is an International Journal on the Science and Technology of Wet and Dry Particulate Systems. Powder Technology publishes papers on all aspects of the formation of particles and their characterisation and on the study of systems containing particulate solids. No limitation is imposed on the size of the particles, which may range from nanometre scale, as in pigments or aerosols, to that of mined or quarried materials. The following list of topics is not intended to be comprehensive, but rather to indicate typical subjects which fall within the scope of the journal's interests:
Formation and synthesis of particles by precipitation and other methods.
Modification of particles by agglomeration, coating, comminution and attrition.
Characterisation of the size, shape, surface area, pore structure and strength of particles and agglomerates (including the origins and effects of inter particle forces).
Packing, failure, flow and permeability of assemblies of particles.
Particle-particle interactions and suspension rheology.
Handling and processing operations such as slurry flow, fluidization, pneumatic conveying.
Interactions between particles and their environment, including delivery of particulate products to the body.
Applications of particle technology in production of pharmaceuticals, chemicals, foods, pigments, structural, and functional materials and in environmental and energy related matters.
For materials-oriented contributions we are looking for articles revealing the effect of particle/powder characteristics (size, morphology and composition, in that order) on material performance or functionality and, ideally, comparison to any industrial standard.