A Review of Titanium Dioxide Photocatalysis Based on Density Functional Theory

2021 ◽  
Vol 11 (01) ◽  
pp. 30-36
Author(s):  
秋实 秦
2019 ◽  
Vol 43 (12) ◽  
pp. 4900-4907 ◽  
Author(s):  
Dongzhi Zhang ◽  
Maosong Pang ◽  
Junfeng Wu ◽  
Yuhua Cao

A high-performance sulfur dioxide sensor based on a platinum-loaded titanium dioxide/molybdenum disulfide ternary nanocomposite is synthesized via layer-by-layer self-assembly.


Author(s):  
Qiang Wan ◽  
Yang Chen ◽  
shulan zhou ◽  
Jian Lin ◽  
Sen Lin

The titanium dioxide (TiO2) alone was rarely reported to have exciting performance in heterogeneous hydrogenation reactions. In this work, we demonstrate via density functional theory (DFT) calculations that the anatase...


RSC Advances ◽  
2016 ◽  
Vol 6 (95) ◽  
pp. 92241-92251 ◽  
Author(s):  
Ganes Shukri ◽  
Wilson Agerico Diño ◽  
Hermawan K. Dipojono ◽  
Mohammad Kemal Agusta ◽  
Hideaki Kasai

A density functional theory (DFT)-based study of ethylene (C2H4) adsorption on a reduced anatase titanium dioxide (TiO2) (001) surface, i.e., with a surface oxygen vacancy (Ovac), is presented.


RSC Advances ◽  
2015 ◽  
Vol 5 (129) ◽  
pp. 106877-106885 ◽  
Author(s):  
Tianshi Zhang ◽  
Patrick Wojtal ◽  
Oleg Rubel ◽  
Igor Zhitomirsky

The outstanding adsorption properties of proteins, containing catecholic amino acid, 1,3,4-dihydroxyphenylalanine, and recent advances in nanoparticle functionalization using catecholates have generated interest in catecholate adsorption.


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