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- Currently displaying 141 - 160 of 213 publications
Origins of catalytic activity in oxide-supported gold: Ultra-small particles and fungiform nanostructures
ABSTRACTS OF PAPERS OF THE AMERICAN CHEMICAL SOCIETY
(2005)
230
U2960
The symmetry and structure of crystalline surfaces
Surface Science
(2005)
585
l159
(doi: 10.1016/j.susc.2005.04.006)
Origin and activity of oxidized gold in water-gas-shift catalysis
Physical Review Letters
(2005)
94
Origin and activity of oxidized gold in water-gas-shift catalysis
Physical review letters
(2005)
94
196102
Pathways for dissociative methane chemisorption on Pt{110}-(1×2)
Physical Review B Condensed Matter and Materials Physics
(2005)
71
113410
(doi: 10.1103/physrevb.71.113410)
Theoretical Stoichiometry and Surface States of a Semi-Heusler Alloy
(2005)
678
245
(doi: 10.1007/11417255_15)
Ternary half-metallics and related binary compounds: Stoichiometry, surface states, and spin
Physical Review B
(2004)
70
1
(doi: 10.1103/PhysRevB.70.245401)
Car Exhaust Catalysis from First Principles: Selective NO Reduction under Excess O2 Conditions on Ir.
ChemInform
(2004)
35
no
(doi: 10.1002/chin.200445018)
Role of nanostructured dual-oxide supports in enhanced catalytic activity: Theory of CO oxidation over Au/IrO2/TiO2
Physical Review Letters
(2004)
93
1
Role of Nanostructured Dual-Oxide Supports in Enhanced Catalytic Activity: Theory of CO Oxidation Over Au/IrO2/TiO2
Phys Rev Lett
(2004)
93
156102
Car exhaust catalysis from first principles: Selective NO reduction under excess O2 conditions on Ir
Journal of the American Chemical Society
(2004)
126
10746
(doi: 10.1021/ja0481833)
Driving Forces for Self-Organized Coadsorption: C6H6/2O and C6H6/2CO on Ni{111}
J Am Chem Soc
(2004)
126
10962
(doi: 10.1021/ja048589y)
Car exhaust catalysis from first principles: Selective NO reduction under excess O-2 conditions on Ir
Journal of the American Chemical Society
(2004)
126
10746
(doi: 10.1021/ja0481833)
Why is silver catalytically active for NO reduction? A unique pathway via an inverted (NO)2 dimer
Journal of the American Chemical Society
(2004)
126
7336
(doi: 10.1021/ja049126c)
Why is silver catalytically active for NO reduction? A unique pathway via an inverted (NO)(2) dimer
J Am Chem Soc
(2004)
126
7336
(doi: 10.1021/ja049126c)
Theory of Methane Dehydrogenation on Pt{110}(1 × 2). Part II: Microscopic Reaction Pathways for CHx→ CHx-1(x= 1−3)
The Journal of Physical Chemistry B
(2004)
108
5920
(doi: 10.1021/jp037881r)
Theory of methane dehydrogenation on pt{110}(1 × 2). Part I: Chemisorption of chx (x = 0-3)
Journal of Physical Chemistry B
(2004)
108
5909
(doi: 10.1021/jp037880z)
Electronic structure of a stepped semiconductor surface: Density functional theory of Si(114)-(2×1)
Physical Review B
(2004)
69
853031
(doi: 10.1103/PhysRevB.69.085303)
Surface infra-red emission during alkali–metal incorporation at an oxide surface
Surface Science
(2004)
550
L27
(doi: 10.1016/j.susc.2003.11.043)
Spin-polarised surfaces: Current state of Density Functional Theory investigations
(2004)
15
261
