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- Currently displaying 81 - 100 of 201 publications
Hydrogen on graphene under stress: Molecular dissociation and gap opening
Physical Review B Condensed Matter and Materials Physics
(2010)
81
075425
(doi: 10.1103/physrevb.81.075425)
Positive Charge States and Possible Polymorphism of Gold Nanoclusters on Reduced Ceria
Journal of the American Chemical Society
(2010)
132
2175
(doi: 10.1021/ja906687f)
Near-degenerate stereomorphs of the doubly-chiral hcp-{213̄ 1} surface
Surface Science
(2010)
604
1688
(doi: 10.1016/j.susc.2010.06.015)
Fischer-Tropsch synthesis of liquid fuels: learning lessons from homogeneous catalysis
Physical chemistry chemical physics : PCCP
(2009)
11
11110
(doi: 10.1039/b915696h)
Mechanisms for H2 reduction on the PdO{101} surface and the Pd{100}-(√5 × √5)R27°-O surface oxide
The Journal of Physical Chemistry C
(2009)
113
16757
(doi: 10.1021/jp904693t)
Chemically selective modification of spin polarization in ultrathin ferromagnetic films: Microscopic theory and macroscopic experiment
Physical Review B Condensed Matter and Materials Physics
(2009)
80
052406
(doi: 10.1103/physrevb.80.052406)
Theory of NHx ± H Reactions on Fe{211}
The Journal of Physical Chemistry C
(2009)
113
15274
(doi: 10.1021/jp9034248)
Aromatic adsorption on metals via first-principles density functional theory
Proceedings of the Royal Society A: Mathematical, Physical and Engineering Sciences
(2009)
465
2949
(doi: 10.1098/rspa.2009.0119)
Ozonolysis of diamond
Journal of Physics Condensed Matter
(2009)
21
264010
Anchoring sites for initial Au nucleation on ceo2{111}: o vacancy versus ce vacancy
Journal of Physical Chemistry C
(2009)
113
6411
(doi: 10.1021/jp810093a)
Surface geometry of Cu{531}
Physical Review B Condensed Matter and Materials Physics
(2009)
79
165420
(doi: 10.1103/PhysRevB.79.165420)
Adsorbate influence on the coercive field of ultrathin Co/Cu{1 1 0}
Surface Science
(2009)
603
L45
(doi: 10.1016/j.susc.2009.01.036)
Silicon oxidation by ozone.
J Phys Condens Matter
(2009)
21
183001
Oxygen vacancy clusters on ceria: Decisive role of cerium f electrons
Physical Review B Condensed Matter and Materials Physics
(2009)
79
(doi: 10.1103/PhysRevB.79.075433)
Oxygen vacancy clusters on ceria: Decisive role of cerium f electrons
Physical Review B
(2009)
79
075433
(doi: 10.1103/physrevb.79.075433)
Surface Stress of Stepped Chiral Metal Surfaces
Phys Rev Lett
(2009)
102
026102
Methane dissociation and methyl diffusion on PdO{100}
J Chem Phys
(2009)
130
014705
(doi: 10.1063/1.3046683)
ChemInform Abstract: In‐silico Investigations in Heterogeneous Catalysis—Combustion and Synthesis of Small Alkanes
ChemInform
(2008)
40
no
(doi: 10.1002/chin.200901237)
Structure of gold atoms on stoichiometric and defective ceria surfaces
The Journal of Chemical Physics
(2008)
129
194708
(doi: 10.1063/1.3009629)
First-principles molecular dynamics of the initial oxidation of Si{001} by ozone
Physical Review B
(2008)
78
195407
(doi: 10.1103/physrevb.78.195407)
