Adsorption and interaction of CO2 on rutile TiO2(110) surfaces: a combined UHV-FTIRS and theoretical simulation study

2015 ◽  
Vol 17 (37) ◽  
pp. 23994-24000 ◽  
Author(s):  
Yunjun Cao ◽  
Shujun Hu ◽  
Min Yu ◽  
Shishen Yan ◽  
Mingchun Xu
Keyword(s):  
Simulation Study ◽  
Rutile Tio2 ◽  
Theoretical Simulation ◽  
Incidence Plane ◽  
Adsorption Temperature

P-polarized RAIR spectra of CO2 adsorbed on reduced rutile TiO2(110) surfaces as a function of CO2 dosage and adsorption temperature. The incidence plane is along (a) the [001] azimuth and (b) the [11̄0] azimuth respectively.

Dynamics of the Photogenerated Hole at the Rutile TiO2(110)/Water Interface: A Nonadiabatic Simulation Study

2014 ◽  
Vol 118 (47) ◽  
pp. 27393-27401 ◽  
Author(s):  
Georgios A. Tritsaris ◽  
Dmitry Vinichenko ◽  
Grigory Kolesov ◽  
Cynthia M. Friend ◽  
Efthimios Kaxiras
Keyword(s):  
Simulation Study ◽  
Water Interface ◽  
Rutile Tio2 ◽  
Photogenerated Hole

Surface behavior of a model surfactant: A theoretical simulation study

2010 ◽  
Vol 348 (1) ◽  
pp. 159-166 ◽  
Author(s):  
Shi-Ming Yuan ◽  
Hui Yan ◽  
Kai Lv ◽  
Cheng-Bu Liu ◽  
Shi-Ling Yuan
Keyword(s):  
Simulation Study ◽  
Theoretical Simulation ◽  
Surface Behavior

Computer simulation study of the defect chemistry of rutile TiO2

1995 ◽  
Vol 56 (6) ◽  
pp. 799-805 ◽  
Author(s):  
D.C. Sayle ◽  
C.R.A. Catlow ◽  
M.A. Perrin ◽  
P. Nortier
Keyword(s):  
Computer Simulation ◽  
Simulation Study ◽  
Defect Chemistry ◽  
Computer Simulation Study ◽  
Rutile Tio2

Effects of Surface Roughness on Multi-Station Mechanical Alignment Processes

2000 ◽  
Vol 123 (3) ◽  
pp. 433-444 ◽  
Author(s):  
Neville K. S. Lee ◽  
J. Y. Chen ◽  
Ajay Joneja
Keyword(s):  
Surface Roughness ◽  
Simulation Study ◽  
Manufacturing Processes ◽  
Mechanical Alignment ◽  
Theoretical Simulation ◽  
Geometric Consideration ◽  
Alignment System ◽  
The Difference

A theoretical simulation study was performed to study how surface roughness of the workpiece and datum can affect the locating precision of multiple station manufacturing processes using a mechanical alignment system. Our analysis shows that geometric consideration, a factor that has not been treated before, is extremely important for many multi-station applications. As expected, the level of alignment precision decreases when the level of surface roughness of the workpieces increases. Our analysis also shows that the effect of the sample roughness on the level of alignment precision depends heavily on the difference in the relative positions of the datum between different workstations.

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