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Photoluminescence emissions of Ca_(1-x)WO_(4):xEu^(3+):Bridging between experiment and DFT calculations 被引量:3
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作者 Amanda Fernandes Gouveia Marcelo Assis +10 位作者 Lara Kelly Ribeiro Aline Estefany Brandao Lima Eduardo de Oliveira Gomes daniele souza Yara Gobato Galvao Ieda Lucia Viana Rosa Geraldo Eduardo da Luz Jr Eva Guillamón Elson Longo Juan Andrés Miguel Angel San-Miguel 《Journal of Rare Earths》 SCIE EI CAS CSCD 2022年第10期1527-1534,共8页
In this work,the impact of the doping process on the photoluminescence emission of CaWO_(4) as a function of the concentration of Eu^(3+) cation(0.01 mol%,0.02 mol%,0.04 mol%,0.06 mol%,0.08 mol%,and 0.10 mol%) is disc... In this work,the impact of the doping process on the photoluminescence emission of CaWO_(4) as a function of the concentration of Eu^(3+) cation(0.01 mol%,0.02 mol%,0.04 mol%,0.06 mol%,0.08 mol%,and 0.10 mol%) is discussed in detail.Ca_(1-x)WO~4:xEu^(3+) samples were successfully synthesized by a simple coprecipitation method followed by microwave irradiation.The blue shift in the absorption edge confirms the quantum confinement effect and the band gap energy covers the range from 3.91 to 4.18 eV,as the amount of Eu^(3+) cations increases.The experimental results are sustained by first-principles calculations,at the density functional theory level,to decipher the geometry and electronic properties,thereby enabling a more accurate and direct comparison between theory and experiment for the Ca_(1-x)WO_(4):xEu^(3+) structure. 展开更多
关键词 Ca_(1-x)WO_(4):xEu^(3+) DFT calculations Photoluminescence emissions Rare earths
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