DFT study of carbon monoxide adsorption on α-Al2O3(0001)

2011 ◽  
Vol 605 (17-18) ◽  
pp. 1694-1703 ◽  
Author(s):  
C. Rohmann ◽  
J.B. Metson ◽  
H. Idriss
2014 ◽  
Vol 16 (27) ◽  
pp. 14287-14297 ◽  
Author(s):  
C. Rohmann ◽  
J. B. Metson ◽  
H. Idriss

The adsorption of CO onto the hydroxylated α-Al2O3(0001) surface was studied using density functional theory (DFT). Red: surface O; purple: surface Al; green: O of OH; white: H of OH; orange: CO.


2008 ◽  
Vol 112 (3) ◽  
pp. 806-812 ◽  
Author(s):  
H. P. Koch ◽  
P. Singnurkar ◽  
R. Schennach ◽  
A. Stroppa ◽  
F. Mittendorfer

ChemPhysChem ◽  
2005 ◽  
Vol 6 (7) ◽  
pp. 1293-1298 ◽  
Author(s):  
Davy L. S. Nieskens ◽  
Daniel Curulla Ferré ◽  
J. W. Niemantsverdriet

2009 ◽  
Vol 107 (17) ◽  
pp. 1805-1810 ◽  
Author(s):  
Masoud Nahali ◽  
Fereydoon Gobal

2013 ◽  
Vol 138 (17) ◽  
pp. 174704 ◽  
Author(s):  
Nicholas Dimakis ◽  
Nestor E. Navarro ◽  
Eugene S. Smotkin

1983 ◽  
Vol 126 (1-3) ◽  
pp. 422-428 ◽  
Author(s):  
S. Tatarenko ◽  
R. Ducros ◽  
M. Alnot

2011 ◽  
Vol 115 (10) ◽  
pp. 4008-4021 ◽  
Author(s):  
Sara E. Mason ◽  
Thomas P. Trainor ◽  
Anne M. Chaka
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