Density Functional Characterization of the 4f -Relevant Electronic Transitions of Lanthanide-Doped Lu2 O3 Luminescence Materials

ChemPhysChem ◽  
2018 ◽  
Vol 19 (21) ◽  
pp. 2947-2953 ◽  
Author(s):  
Junling Meng ◽  
Lifang Zhang ◽  
Fen Yao ◽  
Xiaojuan Liu ◽  
Jian Meng ◽  
...  
Keyword(s):  
Density Functional ◽  
Functional Characterization ◽  
Electronic Transitions

Density Functional Characterization of the Band Edges, the Band Gap States, and the Preferred Doping Sites of Halogen-Doped TiO2

2008 ◽  
Vol 20 (20) ◽  
pp. 6528-6534 ◽  
Author(s):  
Kesong Yang ◽  
Ying Dai ◽  
Baibiao Huang ◽  
Myung-Hwan Whangbo
Keyword(s):  
Band Gap ◽  
Density Functional ◽  
Functional Characterization ◽  
Doped Tio2 ◽  
Gap States

Density Functional Characterization of Reactions of Bimetallic Carbenes PtMCH2+(M = Pt, Au) with NH3in the Gas Phase

2005 ◽  
Vol 24 (8) ◽  
pp. 1845-1851 ◽  
Author(s):  
Fei Xia ◽  
Jian Chen ◽  
Kuo Zeng ◽  
Zexing Cao
Keyword(s):  
Gas Phase ◽  
Density Functional ◽  
Functional Characterization
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