典型文献
Photoluminescence emissions of Ca1-xWO4∶xEu3+:Bridging between experiment and DFT calculations
文献摘要：
In this work,the impact of the doping process on the photoluminescence emission of CaWO4 as a function of the concentration of Eu3+cation(0.01 mol％,0.02 mol％,0.04 mol％,0.06 mol％,0.08 mol％,and 0.10 mol％)is discussed in detail.Ca1-xWO4∶xEu3+samples were successfully synthesized by a simple co-precipitation 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 Eu3+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 Ca1-xWO4∶xEu3+structure.
文献关键词：
中图分类号：
作者姓名：
Amanda Fernandes Gouveia;Marcelo Assis;Lara Kelly Ribeiro;Aline Estefany Brand?o Lima;Eduardo de Oliveira Gomes;Daniele Souza;Yara Gobato Galv?o;Ieda Lucia Viana Rosa;Geraldo Eduardo da Luz Jr.;Eva Guillamón;Elson Longo;Juan Andrés;Miguel Angel San-Miguel
作者机构：
Department of Physical and Analytical Chemistry,University Jaume Ⅰ(UJⅠ),12071,Castelló,Spain;Institute of Chemistry,State University of Campinas(Unicamp),13083-970,Campinas,SP,Brazil;CDMF,Federal University of S?o Carlos(UFSCar),P.O.Box 676,13565-905,S?o Carlos,S?o Paulo,Brazil;Departamento de Química,Federal University of Piauí(UFPI),64049-550,Teresina,Piauí,Brazil;Physics Department,Federal University of S?o Carlos(UFSCar),P.O.Box 676,13565-905,S?o Carlos,S?o Paulo,Brazil
文献出处：
引用格式：
[1]Amanda Fernandes Gouveia;Marcelo Assis;Lara Kelly Ribeiro;Aline Estefany Brand?o Lima;Eduardo de Oliveira Gomes;Daniele Souza;Yara Gobato Galv?o;Ieda Lucia Viana Rosa;Geraldo Eduardo da Luz Jr.;Eva Guillamón;Elson Longo;Juan Andrés;Miguel Angel San-Miguel-.Photoluminescence emissions of Ca1-xWO4∶xEu3+:Bridging between experiment and DFT calculations)[J].稀土学报（英文版）,2022(10):1527-1534
A类：
xWO4,Eu3+cation,xEu3+samples,Eu3+cations,xEu3+structure
B类：
Photoluminescence,emissions,Ca1,Bridging,between,DFT,calculations,In,this,work,impact,doping,process,photoluminescence,CaWO4,concentration,discussed,detail,were,successfully,synthesized,simple,precipitation,method,followed,microwave,irradiation,blue,shift,absorption,edge,confirms,quantum,confinement,effect,band,gap,energy,covers,range,from,eV,amount,increases,experimental,results,are,sustained,first,principles,density,functional,theory,level,decipher,geometry,electronic,properties,thereby,enabling,more,accurate,direct,comparison
AB值：
0.568825
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