Density Functional Study of Boron-Doped Anatase TiO2

2010 ◽  
Vol 114 (46) ◽  
pp. 19830-19834 ◽  
Author(s):  
Kesong Yang ◽  
Ying Dai ◽  
Baibiao Huang
Keyword(s):  
Density Functional ◽  
Anatase Tio2 ◽  
Functional Study ◽  
Density Functional Study ◽  
Boron Doped

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.

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

Density functional study on electronic structures and magnetic properties in (Cr, N) co-doped anatase TiO2

2019 ◽  
Vol 6 (11) ◽  
pp. 116332 ◽  
Author(s):  
Long Lin ◽  
Zhengguang Shi ◽  
Weiyang Yu ◽  
Hualong Tao ◽  
Jingtao Huang ◽  
...  
Keyword(s):  
Magnetic Properties ◽  
Electronic Structures ◽  
Density Functional ◽  
Anatase Tio2 ◽  
Functional Study ◽  
Density Functional Study ◽  
Co Doped

Density functional study on ferromagnetism in nitrogen-doped anatase TiO2

2009 ◽  
Vol 95 (6) ◽  
pp. 062505 ◽  
Author(s):  
J. G. Tao ◽  
L. X. Guan ◽  
J. S. Pan ◽  
C. H. A. Huan ◽  
L. Wang ◽  
...  
Keyword(s):  
Density Functional ◽  
Anatase Tio2 ◽  
Functional Study ◽  
Density Functional Study ◽  
Nitrogen Doped

scholarly journals A density functional study of the effect of hydrogen on electronic properties and band discontinuity at anatase TiO2/diamond interface

2018 ◽  
Vol 123 (16) ◽  
pp. 161599 ◽  
Author(s):  
Kongping Wu ◽  
Meiyong Liao ◽  
Liwen Sang ◽  
Jiangwei Liu ◽  
Masataka Imura ◽  
...  
Keyword(s):  
Electronic Properties ◽  
Density Functional ◽  
Anatase Tio2 ◽  
Functional Study ◽  
Density Functional Study

scholarly journals Adsorption of selected ions on the anatase TiO2(101) surface: a density-functional study

2009 ◽  
Vol 35 (7) ◽  
pp. 567-576 ◽  
Author(s):  
Marta Kinga Bruska ◽  
Konrad Szaciłowski ◽  
Jacek Piechota
Keyword(s):  
Density Functional ◽  
Anatase Tio2 ◽  
Functional Study ◽  
Density Functional Study
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