scholarly journals Range-Separated Hybrid Density Functional Study of Organic Dye Sensitizers on Anatase TiO2 Nanowires

2014 ◽  
Vol 118 (42) ◽  
pp. 24776-24783 ◽  
Author(s):  
Hatice Ünal ◽  
Deniz Gunceler ◽  
Oğuz Gülseren ◽  
Şinasi Ellialtıoğlu ◽  
Ersen Mete
Keyword(s):  
Density Functional ◽  
Anatase Tio2 ◽  
Organic Dye ◽  
Functional Study ◽  
Tio2 Nanowires ◽  
Density Functional Study ◽  
Hybrid Density Functional

Energetics of native defects in anatase TiO2: a hybrid density functional study

2016 ◽  
Vol 18 (43) ◽  
pp. 30040-30046 ◽  
Author(s):  
Adisak Boonchun ◽  
Pakpoom Reunchan ◽  
Naoto Umezawa
Keyword(s):  
Electronic Structures ◽  
Density Functional Calculations ◽  
Density Functional ◽  
Anatase Tio2 ◽  
Functional Study ◽  
Native Defects ◽  
Density Functional Study ◽  
Hybrid Density Functional

The energetics and electronic structures of native defects in anatase TiO2 are comprehensively studied using hybrid density functional calculations.

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