NO chemisorption dynamics on thick FePc and ttbu-FePc films

2009 ◽  
Vol 130 (17) ◽  
pp. 174305 ◽  
Author(s):  
N. L. Tran ◽  
S. R. Bishop ◽  
T. J. Grassman ◽  
G. C. Poon ◽  
F. I. Bohrer ◽  
...  
Keyword(s):  
No Chemisorption

N2 and CO Desorption from Interaction between NO and Nitrogen-Containing Char

2013 ◽  
Vol 860-863 ◽  
pp. 985-988
Author(s):  
Xiu Xia Zhang ◽  
Zhi Jun Zhou ◽  
Jun Hu Zhou ◽  
Ke Fa Cen
Keyword(s):  
Density Functional Theory ◽  
Simulation Study ◽  
Reaction Mechanisms ◽  
Density Functional ◽  
Heterogeneous Reaction ◽  
Reaction Pathways ◽  
Functional Theory ◽  
Exothermic Process ◽  
Axis Parallel ◽  
No Chemisorption

A comprehensive molecular simulation study on heterogeneous reaction mechanisms of NO with nitrogen-containing char is carried out using density functional theory. NO chemisorption and subsequent possible reaction pathways are proposed. Geometries of reactants, products, stable intermediates and transition states are optimized at B3LYP/6-31G(d) level. It is found that NO molecule chemisorption with its bond axis parallel to the edge line of nitrogen-containing char is a weakly exothermic process. The N-O bond in NO molecule tends to dissociate after chemisorption. N2 and CO are desorbed when NO molecules are chemisorbed with the formation of N-N bond. N2 desorption is exothermic, while CO desorption is endothermic. So we conclude that N2 is the dominant product from interaction between NO and nitrogen-containing char.

Angle-resolved photoemission study of no chemisorption on Ag(111) surface

1988 ◽  
Vol 204 (3) ◽  
pp. L739-L744 ◽  
Author(s):  
K Edamoto ◽  
S Maehama ◽  
E Miyazaki ◽  
T Miyahara ◽  
H Kato
Keyword(s):  
Photoemission Study ◽  
No Chemisorption

Magnetic consequences of NO chemisorption on (100) metal surfaces

1996 ◽  
Vol 53 (1) ◽  
pp. 44-47 ◽  
Author(s):  
K. C. Hass ◽  
M.-H. Tsai ◽  
R. V. Kasowski
Keyword(s):  
Metal Surfaces ◽  
No Chemisorption

Characterization of Sulfided Ni-Mo/γ-Al2O3 Catalysts by O2 and NO Chemisorption. Influence of the Method of Preparation

2010 ◽  
Vol 93 (8-9) ◽  
pp. 719-726 ◽  
Author(s):  
A. LÓPez Agudo ◽  
F. J. Gil Llambías ◽  
J. M. D. Tascón ◽  
J. L. G. Fierro
Keyword(s):  
No Chemisorption

Photoemission study of no chemisorption on Pd (111) using synchrotron radiation with energy of 30–130 eV

1986 ◽  
Vol 176 (1-2) ◽  
pp. L841-L846
Author(s):  
Eizo Miyazaki ◽  
Isao Kojima ◽  
Masahiro Orita ◽  
Kiyotaka Sawa ◽  
Noriaki Sanada ◽  
...  
Keyword(s):  
Synchrotron Radiation ◽  
Photoemission Study ◽  
No Chemisorption
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