Effect of yttrium doping on the formation and stability of βtungsten powder - 文章详情页

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摘要：

Yttrium　oxide　doped　tungsten　powders　were　produced　by　spray-drying　solutions　of　ammonium　meta-tungstate　(AMT)　and　yttrium　nitrate,　calcining　the　spray　dried　powder,　and　reducing　with　hydrogen.　During　the　reduction　process,　the　formation　of　metastable　βtungsten　(β-W)　was　observed;　this　phase　was　still　present　after　being　reduced　at　950　°C　whereas　β-W　was　not　found　upon　reducing　pure　tungsten　oxide　at　the　same　conditions.　The　effect　of　Y-doping　on　the　synthesis　and　stability　of　β-W　was　investigated　by　using　density　functional　theory　simulation.　Our　calculation　results　indicate　that　the　formation　energy　of　Y　doped　β-W　is　lower　than　that　of　undoped　β-W.　Charge　density　analysis　further　revealed　the　formation　of　a　covalent　structure　of　Y-O-W　between　substitutional　Y,　interstitial　O　and　adjacent　W　in　β-W,　which　traps　the　oxygen　atom　at　an　interstitial　site　in　the　β-W　instead　of　being　desorbed.　This　structure　improves　the　stability　of　β-W　substantially.　©　2017　Elsevier　Ltd

关键词：

Yttrium oxide Tungsten compounds Density functional theory Spray drying

作者机构：

[ 1 ] [Hua, Yazhou]Key Laboratory of Advanced Functional Materials, College of Materials Science and Engineering, Beijing University of Technology, Beijing; 100124, China
[ 2 ] [Wang, Jinshu]Key Laboratory of Advanced Functional Materials, College of Materials Science and Engineering, Beijing University of Technology, Beijing; 100124, China
[ 3 ] [Ma, Jie]Key Laboratory of Advanced Functional Materials, College of Materials Science and Engineering, Beijing University of Technology, Beijing; 100124, China
[ 4 ] [Chen, Shuqun]Key Laboratory of Advanced Functional Materials, College of Materials Science and Engineering, Beijing University of Technology, Beijing; 100124, China
[ 5 ] [Lai, Chen]Key Laboratory of Advanced Functional Materials, College of Materials Science and Engineering, Beijing University of Technology, Beijing; 100124, China
[ 6 ] [den Englsen, Daniel]Key Laboratory of Advanced Functional Materials, College of Materials Science and Engineering, Beijing University of Technology, Beijing; 100124, China

通讯作者信息：

王金淑
[wang, jinshu]key laboratory of advanced functional materials, college of materials science and engineering, beijing university of technology, beijing; 100124, china

电子邮件地址：

wangjsh@bjut.edu.cn

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