| Surface Science
We
have for over two decades studied the nature of the surface chemical
bond using x-ray spectroscopy and density functional theory methods.
Many of the concepts are most relevant to several problems in
heterogenous catalysis, electrochemistry and electrocatalysis and
molecular environmental interfacial processes. The studies systems can
be characterized into five bonding types, (1) atomic radical, (2)
diatomics with unsaturated pi-systems (Blyholder model), (3)
unsaturated hydrocarbons (Dewar-Chatt-Duncanson model), (4) lone-pair
interactions, and (5) saturated hydrocarbons (physisorption).
To
better understand chemical processes such as adsorption, corrosion, and
catalytic reactions we need to understand the role of water that is
present in many systems. Information of the adsorbed water on metals is
obtained through x-ray absorption, x-ray emission, and x-ray
photoelectron spectroscopies along with calculations in the framework
of density functional theory.
To
better understand chemical processes such as adsorption, corrosion, and
catalytic reactions we need to understand the role of water that is
present in many systems. Information of the adsorbed water on metals is
obtained through x-ray absorption, x-ray emission, and x-ray
photoelectron spectroscopies along with calculations in the framework
of density functional theory.
An
ambient pressure x-ray photoelectron spectroscopy (AP-XPS) system
allows us to carry out in-situ XPS studies of surfaces in equilibrium
with vapor at ca 1 Torr pressure. Our special focus is on the
adsorption of water on metal and oxide surfaces. Many important
processes in nature and technology occure on solid surfaces under
ambient conditions.
Representative Publications
- Chemical bonding of water to metal surfaces studied with core-level spectroscopies
T. Schiros, K. J. Andersson, L. G. M. Pettersson, A. Nilsson, and H. Ogasawara
J. Elec. Spec. Rel. Phenom. 177, 85 (2010)
- Direct interaction of water ice with hydrophobic methyl-terminated Si(111)
I. Waluyo, H. Ogasawara, M. Kawai, A. Nilsson, and T. Yamada
J. Chem. Phys. C 114, 19004 (2010)
-
Cooperativity in surface bonding and hydrogen bonding of water and hydroxyl at metal surfaces
T. Schiros, H. Ogasawara, L. -Å. Näslund, K. J. Andersson, J. Ren, S. Meng, G. S. Karlberg, M. Odelius, A. Nilsson, and L. G. M. Pettersson
J. Phys. Chem. C 114, 10240 (2010)
- Water adsorption on alpha-Fe2O3(0001) at near ambient conditions
S. Yamamoto, T. Kendelewicz, J. T. Newberg, G. Ketteler, D. E. Starr, E. R. Mysak, K. J. Andersson, H. Ogasawara, H. Bluhm, M. Salmeron, G. E. Brown, and A. Nilsson
J. Phys Chem. C 114, 2256 (2010).
- Water growth on metals and oxides: binding, dissociation and role of hydroxyl groups
M. Salmeron, H. Bluhm, N. Tatarkhanov, G. Ketteler, T. K. Shimizu, A. Mugarza, X. Y. Deng, T. Herranz, S. Yamamoto, and A. Nilsson
Faraday Discussions 141, 221 (2009).
- NO2 Adsorption on Ag(100) Supported MgO(100) Thin Films: Controlling the Adsorption State with Film Thickness
D. Starr, C. Weis, S. Yamamoto, and A. Nilsson, H. Bluhm
J. Phys. Chem C 113, 7355 (2009).
-
The structure of mixed H2O-OH monolayer films on Ru(0001)
M. Tatarkhanov, E. Fomin, M. Salmeron, K. Andersson, H. Ogasawara, L. G. M. Pettersson, A. Nilsson, and J. I. Cerda
J. Chem. Phys. 129, 154109 (2008).
- Spectroscopic evidence for the formation of 3-D crystallites during isothermal heating of amorphous ice on Pt(111)
I. Waluyo, D. Nordlund, L-Å Näslund, H. Ogasawara, L. G. M. Pettersson and A.Nilsson
Surf. Sci. 602, 2004 (2008).
- Autocatalytic water dissociation on Cu(110) at near ambient conditions
K. Andersson, G. Kettler, H. Bluhm, S. Yamamoto, H. Ogasawara, L. G. M. Pettersson, M. Salmeron and A. Nilsson
J. Am. Chem. Soc. 130, 2793 (2008).
- In-situ x-ray photoelectron spectroscopy studies of water on metals and oxides at ambient conditions
S. Yamamoto, H. Bluhm, K. Andersson, G. Ketteler, H. Ogasawara, M. Salmeron and A. Nilsson
J. Phys: Condensed Matter 20, 184025 (2008).
- Structure of water adsorbed on the open Cu(110) surface: H-up, H-down, or both?
T. Schiros, S. Haq, H. Ogasawara, O. Takahashi, H. Öström, K. Andersson, L. G. M. Pettersson, A. Hodgson and A. Nilsson
Chem. Phys. Lett. 429, 415 (2006).
-
Physisorption Induced C-H Bond Elongation in Methane
H. Öström, H. Ogasawara, L. -Å. Näslund, L. G. M. Pettersson and A. Nilsson
Phys. Rev. Lett. 96 (2006) 146104.
-
Structure and bonding of the water-hydroxyl mixed phase on Pt(111)
T.
Schiros, L. -Å. Näslund, K. Andersson, J. Gyllenpalm, G. S. Karlberg,
M. Odelius, H. Ogasawara, L. G. M. Pettersson and A. Nilsson
J. Phys. Chem. C 111, 15003 (2007).
-
Geometric and electronic structure of methane adsorbed on a Pt surface
H. Öström, H. Ogasawara, L. -Å. Näslund, K. Andersson, L. G. M. Pettersson and A. Nilsson
J. Chem. Phys. 127, 144702 (2007).
- Bridging the pressure gap in water and hydroxyl chemistry on metal surfaces: Cu(110)
K. Andersson, G. Ketteler, H. Bluhm, S. Yamamoto, H. Ogasawara, L. G. M. Pettersson, M. Salmeron and A. Nilsson
J. Phys. Chem. C 111, 14493 (2007).
-
Adsorbate Electronic Structure and Bonding on Metal Surfaces
A. Nilsson and L. G. M. Pettersson
Chemical Bonding at Surfaces and Interfaces, edited by A. Nilsson, L. G. M. Pettersson and J. K. Norskov, Elsevier (2008). - Chemical Bonding on Surfaces Probed by X-ray Emission Spectroscopy and Density Functional Theory
A. Nilsson and L. G. M. Pettersson
Surf. Sci. Reps. 55 (2004) 49.
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