NO chemisorption on a magnetic alloy surface: a density-functional periodic study of Pd3Mn(100) compared with Pd(100)

[1]  P. Sautet,et al.  INTERPLAY BETWEEN MAGNETISM AND CHEMISORPTION : A THEORETICAL STUDY OF CO AND NO ADSORPTION ON A PD3MN ALLOY SURFACE , 1999 .

[2]  P. Sautet,et al.  DENSITY FUNCTIONAL PERIODIC STUDY OF CO ADSORPTION ON THE PD3MN(100) ALLOYSURFACE : COMPARISON WITH PD(100) , 1999 .

[3]  Philippe Sautet,et al.  Molecular and dissociative chemisorption of NO on palladium and rhodium (100) and (111) surfaces: A density-functional periodic study , 1998 .

[4]  P. Sautet,et al.  VIBRATIONAL FREQUENCY AND CHEMISORPTION SITE : A DFT-PERIODIC STUDY OF NO ON PD (111) AND RH (111) SURFACES , 1998 .

[5]  D. King,et al.  Energetics, geometry and spin density of NO chemisorbed on Pt{111} , 1998 .

[6]  F. Delbecq,et al.  Adsorption of CO and NO on (111) and (100) surfaces of Pd3Mn compared with Pd : a theoretical approach , 1998 .

[7]  Jürgen Hafner,et al.  Molecular Precursors in the Dissociative Adsorption of O 2 on Pt(111) , 1997 .

[8]  P. Sautet,et al.  Electronic Structure and Magnetism of Ordered Palladium−Manganese and Palladium−Chromium Alloys , 1997 .

[9]  J. Nørskov,et al.  ADSORBATE REORGANIZATION AT STEPS : NO ON PD(211) , 1997 .

[10]  A. Freeman,et al.  Dynamical and geometrical aspects of NO chemisorption on transition metals: Rh, Pd, and Pt , 1997 .

[11]  D. King,et al.  Calorimetric investigation of NO and CO adsorption on Pd{100} and the influence of preadsorbed carbon , 1997 .

[12]  White,et al.  Adsorption and Dissociation of O2 on Ag(110). , 1996, Physical review letters.

[13]  R. M. Lambert,et al.  Electronic, chemisorption and catalytic properties of Pd overlayers on Ru(100) probed by CO and O2 adsorption and reaction , 1996 .

[14]  J. B. Adams,et al.  CO on Pd(110): determination of the optimal adsorption site , 1996 .

[15]  D. Goodman,et al.  Adsorption of CO on a pseudomorphic palladium monolayer on Mo(110) , 1996 .

[16]  G. Kresse,et al.  Efficiency of ab-initio total energy calculations for metals and semiconductors using a plane-wave basis set , 1996 .

[17]  Morikawa,et al.  CO chemisorption at metal surfaces and overlayers. , 1996, Physical review letters.

[18]  Tsai,et al.  Magnetic consequences of NO chemisorption on (100) metal surfaces. , 1996, Physical review. B, Condensed matter.

[19]  Y. Debauge,et al.  Synergistic alloying behaviour of Pd50Cu50 single crystals upon adsorption and co-adsorption of CO and NO , 1995 .

[20]  Tsai,et al.  First-principles studies of NO chemisorption on rhodium, palladium, and platinum surfaces. , 1995, Physical review. B, Condensed matter.

[21]  M. Payne,et al.  Gradient corrections in density functional theory calculations for surfaces: Co on Pd{110} , 1994 .

[22]  D. Goodman,et al.  A Comparative Study of the Coadsorption of carbon monoxide and nitric oxide on Pd(100), Pd(111), and Silica-Supported Palladium Particles with Infrared Reflection-Absorption Spectroscopy , 1994 .

[23]  Michel Primet,et al.  CO and NO Interaction with Pd-Ag and Pd-Cr Bimetallic Catalysts .: 1. X-Ray-Diffraction, Infrared-Spectroscopy, and Thermoreaction , 1994 .

[24]  Hafner,et al.  Ab initio molecular dynamics for liquid metals. , 1995, Physical review. B, Condensed matter.

[25]  Wang,et al.  Accurate and simple analytic representation of the electron-gas correlation energy. , 1992, Physical review. B, Condensed matter.

[26]  Wu,et al.  Magnetic properties of Fe overlayers on W(001) and the effects of oxygen adsorption. , 1992, Physical Review B (Condensed Matter).

[27]  Evert Jan Baerends,et al.  Numerical integration for polyatomic systems , 1992 .

[28]  H. Miki,et al.  Chemisorption of NO on Pd(100), (111) and (110) surfaces studied by AES, UPS and XPS , 1991 .

[29]  E. Baerends,et al.  Precise density-functional method for periodic structures. , 1991, Physical review. B, Condensed matter.

[30]  F. Jona,et al.  A low-energy electron diffraction study of the Pd{0 0 1}c(2 × 2)-Mn adsorbed system , 1990 .

[31]  B. Koel,et al.  The adsorption of CO on Pd thin films on Ta(110) , 1990 .

[32]  K. Jacobi,et al.  NO adsorption on Pd(111) in the temperature range between 20 and 300 K , 1990 .

[33]  H. Miki,et al.  Chemisorption of NO on Pd single crystals studied by UPS, AES and XPS , 1990 .

[34]  Chubb,et al.  First-principles study of the electronic and magnetic structure of c(2 x 2) sulfur chemisorbed above Fe(001). , 1988, Physical review. B, Condensed matter.

[35]  P. Uvdal,et al.  Vibrational excitations of nitric oxide adsorbed on Pd(100) , 1988 .

[36]  A. Becke,et al.  Density-functional exchange-energy approximation with correct asymptotic behavior. , 1988, Physical review. A, General physics.

[37]  Chubb,et al.  First-principles determination of giant adsorption-induced surface relaxation in p(11) O/Fe(001). , 1987, Physical review letters.

[38]  A. Anderson,et al.  CO adsorption on (111) and (100) surfaces of the Pt3Ti alloy: Evidence for parallel binding and strong activation of CO , 1986 .

[39]  J. Perdew,et al.  Density-functional approximation for the correlation energy of the inhomogeneous electron gas. , 1986, Physical review. B, Condensed matter.

[40]  Huang,et al.  Bonding and magnetism of chemisorbed oxygen on Fe(001). , 1985, Physical review. B, Condensed matter.

[41]  Davenport,et al.  Chemisorption of H on magnetic Ni(001). , 1985, Physical review letters.

[42]  Johnson,et al.  Photoemission studies of carbon monoxide on tantalum-supported palladium thin films. , 1985, Physical review. B, Condensed matter.

[43]  G. Ertl,et al.  Interaction of NO and O2 with Pd(111) surfaces. I. , 1977 .

[44]  G. Blyholder,et al.  Molecular Orbital View of Chemisorbed Carbon Monoxide , 1964 .