Adsorption of NO on Fe3O4 (111)
Adsorption of NO on Fe 3 O 4 (111) is studied by density functional theory (DFT)
calculations. NO is preferably adsorbed atop the octahedral site which has a clearly higher …
calculations. NO is preferably adsorbed atop the octahedral site which has a clearly higher …
Molecular adsorption of NO on NiO(100): DFT and calculations
A Rohrbach, J Hafner - Physical Review B—Condensed Matter and Materials …, 2005 - APS
Following our former study of the CO∕ Ni O (100) system [Phys. Rev. B 69, 075413 (2004)],
we have investigated the geometrical, electronic, and magnetic properties of NO adsorbed …
we have investigated the geometrical, electronic, and magnetic properties of NO adsorbed …
Bonding of CO and NO to NiO (100): a strategy for obtaining accurate adsorption energies
I Mehdaoui, T Klüner - The Journal of Physical Chemistry A, 2007 - ACS Publications
Ab initio studies of the bonding of CO and NO to a NiO (100) surface are presented. As has
been shown by Pacchioni et al.(Pacchioni, G.; Di Valentin, C.; Dominguez-Ariza, D.; Illas, F.; …
been shown by Pacchioni et al.(Pacchioni, G.; Di Valentin, C.; Dominguez-Ariza, D.; Illas, F.; …
Ab initio density-functional study of NO on close-packed transition and noble metal surfaces: I. Molecular adsorption
M Gajdoš, J Hafner, A Eichler - Journal of Physics: Condensed …, 2005 - iopscience.iop.org
Ab initio density-functional calculations have been used to investigate the molecular
adsorption of NO on the close-packed surfaces of late transition metals (Co, Ni, Ru, Rh, Pd …
adsorption of NO on the close-packed surfaces of late transition metals (Co, Ni, Ru, Rh, Pd …
Single local site structure for vibrationally distinct adsorption states: NO on Ni (111)
Scanned energy mode N and O 1s photoelectron diffraction data collected from NO on Ni
(111) under conditions corresponding to three distinct N—O vibrational frequencies …
(111) under conditions corresponding to three distinct N—O vibrational frequencies …
NO2 Adsorption on Ni (100): a Comparison of NO2 with CO2 Adsorption
NO2 adsorption has been studied on Ni (100) at temperatures between 90 and 400 K via
HREELS, ARUPS, XPS and NEXAFS. It is shown that NO2 dissociates at low temperatures …
HREELS, ARUPS, XPS and NEXAFS. It is shown that NO2 dissociates at low temperatures …
Adsorption of NO on FeOx Films Grown on Ag(111)
We used temperature-programmed desorption (TPD) and reflection absorption infrared
spectroscopy (RAIRS) to characterize the adsorption of NO on crystalline iron oxide films …
spectroscopy (RAIRS) to characterize the adsorption of NO on crystalline iron oxide films …
Studies of NO adsorption on Pt (110)-(1× 2) and (1× 1) surfaces using density functional theory
H Orita, I Nakamura, T Fujitani - The Journal of Physical Chemistry …, 2005 - ACS Publications
Adsorption of NO on Pt (110)-(1× 2) and (1× 1) surfaces has been investigated by density
functional theory (DFT) method (periodic DMol3) with full geometry optimization and without …
functional theory (DFT) method (periodic DMol3) with full geometry optimization and without …
Molecular adsorption on oxide surfaces: Electronic structure and orientation of NO on NiO (100)/Ni (100) and on NiO (100) as determined from electron spectroscopies …
H Kuhlenbeck, G Odörfer, R Jaeger, G Illing, M Menges… - Physical Review B, 1991 - APS
We have investigated the adsorption of NO on a thin NiO (100) film of several layers
thickness grown on top of a Ni (100) surface in comparison with data of an in vacuo cleaved …
thickness grown on top of a Ni (100) surface in comparison with data of an in vacuo cleaved …
The surface structure of Fe3O4 (1 1 1) films as studied by CO adsorption
C Lemire, R Meyer, VE Henrich, S Shaikhutdinov… - Surface science, 2004 - Elsevier
We have studied adsorption of CO on Fe3O4 (111) films grown on a Pt (111) substrate by
temperature programmed desorption (TPD), infrared reflection absorption spectroscopy …
temperature programmed desorption (TPD), infrared reflection absorption spectroscopy …