CO and NO adsorption and co-adsorption on the Pd(111) surface

2001 ◽  
Vol 489 (1-3) ◽  
pp. 72-82 ◽  
Author(s):  
Karoliina Honkala ◽  
Päivi Pirilä ◽  
Kari Laasonen
Keyword(s):  
Co Adsorption ◽  
No Adsorption

Infrared studies of NO adsorption and co-adsorption of NO and O2 onto cerium-exchanged mordenite (CeNaMOR)

1995 ◽  
Vol 4 (6) ◽  
pp. 455-465 ◽  
Author(s):  
E. Ito ◽  
Y.J. Mergler ◽  
B.E. Nieuwenhuys ◽  
H. van Bekkum ◽  
C.M. van den Bleek
Keyword(s):  
Co Adsorption ◽  
No Adsorption ◽  
Infrared Studies

Species formed during NO adsorption and NO + O 2 co-adsorption on ceria: A combined FTIR and DFT study

2018 ◽  
Vol 451 ◽  
pp. 114-124 ◽  
Author(s):  
Mihail Y. Mihaylov ◽  
Elena Z. Ivanova ◽  
Hristiyan A. Aleksandrov ◽  
Petko St. Petkov ◽  
Georgi N. Vayssilov ◽  
...  
Keyword(s):  
Co Adsorption ◽  
Dft Study ◽  
No Adsorption

FTIR spectroscopy study of CO and NO adsorption and co-adsorption on Pt/TiO2

2007 ◽  
Vol 274 (1-2) ◽  
pp. 179-184 ◽  
Author(s):  
Elena Ivanova ◽  
Mihail Mihaylov ◽  
Frédéric Thibault-Starzyk ◽  
Marco Daturi ◽  
Konstantin Hadjiivanov
Keyword(s):  
Ftir Spectroscopy ◽  
Co Adsorption ◽  
Spectroscopy Study ◽  
No Adsorption

scholarly journals Adsorption of Chiral 2,2‘-Substituted-1,1’-Binaphthalenes onto Silica-Supported Palladium and Nickel

2006 ◽  
Vol 24 (3) ◽  
pp. 257-268
Author(s):  
S. David Jackson ◽  
Geoffrey Webb ◽  
Nicola C. Young
Keyword(s):  
Functional Groups ◽  
Metal Surface ◽  
Co Adsorption ◽  
Nickel Catalysts ◽  
No Adsorption ◽  
Adsorption Sites ◽  
Sequential Adsorption ◽  
Supported Palladium ◽  
Hydroxy Groups ◽  
Total Coverage

The nature of the adsorption of a series of 2,2‘-substituted-1,1’-binaphthalenes over supported palladium and nickel catalysts has been studied. Adsorption has been shown to occur through the 2,2‘-substituted functional groups. Where this is not possible, no adsorption of the binaphthyl is observed. Adsorption of 2,2’-diamino-1,1’-binaphthalene occurred solely on the metal components of the catalysts. However, total coverage of the metal surface was not obtained, with only specific sites being available for adsorption. Adsorption of 2,2‘-dihydroxy-1,1’-binaphthalene occurred on the metal components but also spilled over onto the support. Adsorption was detected for 2-hydroxy-2‘-methoxy-1,1’-binaphthalene but no spill-over was observed, indicating that both hydroxy groups are involved in the spill-over process. Co-adsorption and sequential adsorption studies revealed that there are a variety of adsorption sites that favour different binaphthyls.

FTIR study of species arising after NO adsorption and NO+O2 co-adsorption on CoY: comparison with Co-ZSM-5

2001 ◽  
Vol 46 (2-3) ◽  
pp. 299-309 ◽  
Author(s):  
Elena Ivanova ◽  
Konstantin Hadjiivanov ◽  
Dimitar Klissurski ◽  
Maria Bevilacqua ◽  
Tiziana Armaroli ◽  
...  
Keyword(s):  
Co Adsorption ◽  
No Adsorption ◽  
Ftir Study

IR spectroscopy study of NO adsorption and NO + O2 co-adsorption on Al2O3

2002 ◽  
Vol 4 (11) ◽  
pp. 2443-2448 ◽  
Author(s):  
Tzvetomir Venkov ◽  
Konstantin Hadjiivanov ◽  
Dimitar Klissurski
Keyword(s):  
Ir Spectroscopy ◽  
Co Adsorption ◽  
Spectroscopy Study ◽  
No Adsorption

High-Entropy Alloys as Catalysts for the CO2 and CO Reduction Reactions

2019 ◽  
Author(s):  
Jack Pedersen ◽  
Thomas Batchelor ◽  
Alexander Bagger ◽  
Jan Rossmeisl
Keyword(s):  
Density Functional ◽  
Rational Design ◽  
Hydrogen Adsorption ◽  
Co Adsorption ◽  
Reduction Reaction ◽  
Supervised Machine Learning ◽  
High Entropy Alloys ◽  
High Entropy ◽  
Co Reduction ◽  
Disordered Alloy

Using the high-entropy alloys (HEAs) CoCuGaNiZn and AgAuCuPdPt as starting points we provide a framework for tuning the composition of disordered multi-metallic alloys to control the selectivity and activity of the reduction of carbon dioxide (CO2) to highly reduced compounds. By combining density functional theory (DFT) with supervised machine learning we predicted the CO and hydrogen (H) adsorption energies of all surface sites on the (111) surface of the two HEAs. This allowed an optimization for the HEA compositions with increased likelihood for sites with weak hydrogen adsorption{to suppress the formation of molecular hydrogen (H2) and with strong CO adsorption to favor the reduction of CO. This led to the discovery of several disordered alloy catalyst candidates for which selectivity towards highly reduced carbon compounds is expected, as well as insights into the rational design of disordered alloy catalysts for the CO2 and CO reduction reaction.

A topological quantum-chemical study of the chemisorption of carbon monoxide on the fcc (112) surfaces of Ni, Pt, Pd, Rh, and Ir

1990 ◽  
Vol 55 (8) ◽  
pp. 1907-1919
Author(s):  
Jiří Pancíř ◽  
Ivana Haslingerová
Keyword(s):  
Carbon Monoxide ◽  
Quantum Chemical ◽  
Co Adsorption ◽  
Quantum Chemical Study ◽  
Chemical Study ◽  
Dissociative Chemisorption ◽  
Frontier Orbitals ◽  
Surface Sites ◽  
Charged Surfaces ◽  
Topological Quantum

A semiempirical quantum-chemical topological method is applied to the study of the fcc (112) surfaces of Ni, Pt, Pd, Rh, and Ir and the nondissociative as well as dissociative chemisorption of carbon monoxide on them. On Ni, dissociative chemisorption is preferred to linear capture, whereas on Pd and Pt, linear capture is preferred although dissociative chemisorption is also feasible. On Rh and, in particular, on Ir, dissociative chemisorption is energetically prohibited. The high dissociative ability of the Ni surface can be ascribed to a rather unusual charge alteration and to the degeneracy of the frontier orbitals. Negative charges at the surface level are only found on the Ni and Pt surfaces whereas concentration of positive charges is established on the Rh and Ir surfaces; the Pd surface is nearly uncharged. Metals with negatively charged surfaces seem to be able to dissociate molecules of carbon monoxide. It is demonstrated that CO adsorption can take place on all metal surface sites, most effectively in the valley of the step. In all the cases studied, the attachment to the surface is found to be energetically more favourable for the carbon than for the oxygen.

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