Structure determination of molecular adsorbates on oxide surfaces using scanned-energy mode photoelectron diffraction
Por:
Polcik M., Lindsay R., Baumgärtel P., Terborg R., Schaff O., Kulkarni S., Bradshaw A.M., Toomes R.L., Woodruff D.P.
Publicada:
1 ene 1999
Resumen:
Using N 1s scanned-energy mode photoelectron diffraction (PhD) combined with full multiple scattering simulations the local adsorption site of NO on NiO(100) has been determined. The molecule bonds through the N atom atop a surface layer N atom, while the N-O axis is tilted away from the surface normal by 59( + 31/-17)°. The special problems presented by adsorbates on compound surfaces, for the direct inversion of PhD data to provide a first-order site determination, are discussed and some alternative schemes tested.
Filiaciones:
Polcik M.:
Fritz-Haber-Institut, MPG, Faradayweg 4-6, D 14195 Berlin, Germany
Lindsay R.:
Fritz-Haber-Institut, MPG, Faradayweg 4-6, D 14195 Berlin, Germany
Chemistry Department, University of Manchester, Manchester, M13 9PL, United Kingdom
Baumgärtel P.:
Fritz-Haber-Institut, MPG, Faradayweg 4-6, D 14195 Berlin, Germany
Terborg R.:
Fritz-Haber-Institut, MPG, Faradayweg 4-6, D 14195 Berlin, Germany
Schaff O.:
Fritz-Haber-Institut, MPG, Faradayweg 4-6, D 14195 Berlin, Germany
Kulkarni S.:
Fritz-Haber-Institut, MPG, Faradayweg 4-6, D 14195 Berlin, Germany
Bradshaw A.M.:
Fritz-Haber-Institut, MPG, Faradayweg 4-6, D 14195 Berlin, Germany
Toomes R.L.:
Physics Department, University of Warwick, Coventry, CV4 7AL, United Kingdom
Woodruff D.P.:
Physics Department, University of Warwick, Coventry, CV4 7AL, United Kingdom
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