[1] M. B. Knickelbein, “Reactions of Transition
Metal Clusters with Small Molecules 1,” Annual
Review of Physical Chemistry, 50, 79-115, 1999.
[2] M. Zhou, L. Andrews, C.W. Bauschlicher,
“Spectroscopic and theoretical investigations of
vibrational frequencies in binary unsaturated
transition-metal carbonyl cations, neutrals, and
anions,” Chemical Reviews, 101, 1931-61, 2001.
[3] M. Gajdos, J. Hafner, A. Eichler, “Ab initio
density-functional study of NO on close-packed
transition and noble metal surfaces: I. Molecular
adsorption,” Journal of Physics: Condensed Matter,
18, 13-40, 2006.
[4] X. L. Pan, Z. L. Fan, W. Chen, Y.J. Ding, H.Y.
Luo, X.H. Bao, “Enhanced ethanol production
inside carbon-nanotube reactors containing catalytic
particles,” Nature Materials, 6, 507-511, 2007.
[5] P. Serp, E. Castillejos, “Catalysis in Carbon
Nanotubes,” ChemCatChem, 2, 41-47, 2010.
[6] P. Serp, J.L. Figueiredo, Carbon Materials for
Catalysis, 2009.
[7] S. Peng, K. Cho, P. Qi, H. Dai, “Ab initio study
of CNT NO2 gas sensor,” Chemical Physics Letters,
387, 271-276, 2004.
[8] A. Endou, N. Ohashi, S. Takami, M. Kubo, A.
Miyamoto, E. Broclawik, “The adsorption and
activation properties of precious metal clusters
toward NO: a density functional study,” Topics in
Catalysis, 11, 271-278, 2000.
[9] A. Arab, M. Nahali, F. Gobal, “DFT study of
nitrogen monoxide adsorption and dissociation on
RhCu nano clusters,” Journal of Alloys and
Compounds, 695, 1924-1929, 2017.
[10] M. Torres, F.A. Granja, L.C. Balbas, A. Vega,
“Ab Initio Study of the Adsorption of NO on the
Rh6+ Cluster,” Journal of Physical Chemistry A,
115, 8350-8360, 2011.
[11] R. Burch, J. P. Breen, F.C. Meunier, “A review
of the selective reduction of NOx with hydrocarbons
under lean-burn conditions with non-zeolitic oxide
and platinum group metal catalysts,” Applied
Catalysis B: Environmental, 39, 283-303, 2002.
[12] S. Furlan, P. Giannozzi, “The interactions of
nitrogen dioxide with graphene-stabilized Rh
clusters: a DFT study,” Physical Chemistry
Chemical Physics, 15, 15896-904, 2013.
[13] H. Xie, M. Ren, Q. Lei, W. Fang, “Nitric Oxide
Adsorption and Reduction Reaction Mechanism on
the Rh7+ Cluster: A Density Functional Theory
Study,” Journal of Physical Chemistry A, 115,
14203-14208, 2011.
[14] D. Andrae, U. Haussermann, U. Dolg, H. Stoll,
H. Preuss, “Energy-adjusted ab initio
pseudopotentials for the second and third row
transition elements,” Theoretica Chimica Acta, 77,
123-140, 1990.
[15] D. Loffreda, D. Simon, P. Sautet, “Molecular
and dissociative chemisorption of NO on palladium
and rhodium (100) and (111) surfaces: A densityfunctional periodic study,” The Journal of Chemical
Physics, 108, 6447-6457, 1998.
[16] A. Arab, F. Gobal, N. Nahali, M. Nahali,
“Electronic and Structural Properties of Neutral,
Anionic, and Cationic RhxCu4- x (x= 0–4) Small
Clusters: A DFT Study,” Journal of Cluster Science,
24, 273-287, 2013.
[17] M. J. Frisch, et al., Gaussian 03, Revision B.
03, Gaussian, Inc., Pittsburgh PA, 2003.
[18] A.D. Becke, “A new mixing of Hartree–Fock
and local density‐functional theories,” The Journal
of Chemical Physics, 98, 1372-1378, 1993.
[19] J.P. Perdew, J.A. Chevary, S.H. Vosko, K.A.
Jackson, M.R. Pederson, D.J. Singh, C. Fiolhais,
“Atoms, molecules, solids, and surfaces:
Applications of the generalized gradient approximation for exchange and correlation,”
Physical Review B, 46, 6671-6688, 1992.
[20] L. Chen, A.C. Cooper, G.P. Pez, H. Cheng,
“Density Functional Study of Sequential H2 Dissociative Chemisorption on a Pt6 Cluster,”
Journal of Physical Chemistry C, 111, 5514-5519,
2007.
)
