Modelling STM images of TiO2(110) from first-principles: Defects, water adsorption and dissociation products

2007 ◽  
Vol 437 (1-3) ◽  
pp. 73-78 ◽  
Author(s):  
G. Teobaldi ◽  
W.A. Hofer ◽  
O. Bikondoa ◽  
C.L. Pang ◽  
G. Cabailh ◽  
...  
Keyword(s):  
First Principles ◽  
Water Adsorption ◽  
Adsorption And Dissociation ◽  
Stm Images

First-principles study of water adsorption and dissociation on the UO2 (1 1 1), (1 1 0) and (1 0 0) surfaces

2014 ◽  
Vol 454 (1-3) ◽  
pp. 446-454 ◽  
Author(s):  
Tao Bo ◽  
Jian-Hui Lan ◽  
Yao-Lin Zhao ◽  
Yu-Juan Zhang ◽  
Chao-Hui He ◽  
...  
Keyword(s):  
First Principles ◽  
Water Adsorption ◽  
First Principles Study ◽  
Adsorption And Dissociation

Influence of strain on water adsorption and dissociation on rutile TiO2(110) surface

2016 ◽  
Vol 18 (22) ◽  
pp. 14833-14839 ◽  
Author(s):  
Long Yang ◽  
Da-Jun Shu ◽  
Shao-Chun Li ◽  
Mu Wang
Keyword(s):  
First Principles ◽  
Water Adsorption ◽  
Applied Strain ◽  
First Principles Calculations ◽  
Rutile Tio2 ◽  
Adsorption And Dissociation

The influence of externally applied strain on water adsorption and dissociation on a defect-free rutile TiO2(110) surface is studied by using first-principles calculations.

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