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Center for Atomic-Scale Materials Physics
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top-articles
Center for Atomic-Scale Materials Physics
56
(top 2%)
papers
14.5K
(top 1%)
citations
41
(top 1%)
h
-index
57
(top 1%)
g
-index
58
all documents
15.4K
doc citations
959
citing journals
Top Articles
#
Title
Journal
Year
Citations
1
The surface energy of metals
Surface Science
1998
2,342
2
Changing the Activity of Electrocatalysts for Oxygen Reduction by Tuning the Surface Electronic Structure
Angewandte Chemie - International Edition
2006
1,685
3
Electrolysis of water on (oxidized) metal surfaces
Chemical Physics
2005
1,383
4
Role of Strain and Ligand Effects in the Modification of the Electronic and Chemical Properties of Bimetallic Surfaces
Physical Review Letters
2004
1,224
5
Ammonia Synthesis from First-Principles Calculations
Science
2005
1,109
6
Surface segregation energies in transition-metal alloys
Physical Review B
1999
902
7
Catalytic CO Oxidation by a Gold Nanoparticle: A Density Functional Study
Journal of the American Chemical Society
2002
718
8
Making gold less noble
Catalysis Letters
2000
641
9
CO Oxidation on Rutile-Supported Au Nanoparticles
Angewandte Chemie - International Edition
2005
381
10
Hydrogen Evolution Over Bimetallic Systems: Understanding the Trends
ChemPhysChem
2006
351
11
Anode Materials for Low-Temperature Fuel Cells: A Density Functional Theory Study
Journal of Catalysis
2001
330
12
Toward computational screening in heterogeneous catalysis: Pareto-optimal methanation catalysts
Journal of Catalysis
2006
314
13
Trends in the chemical properties of early transition metal carbide surfaces: A density functional study
Catalysis Today
2005
302
14
Simulations of atomic-scale sliding friction
Physical Review B
1996
289
15
Combined Electronic Structure and Evolutionary Search Approach to Materials Design
Physical Review Letters
2002
248
16
Locally self-consistent Green’s function approach to the electronic structure problem
Physical Review B
1997
205
17
Structure and Reactivity of Ni−Au Nanoparticle Catalysts
Journal of Physical Chemistry B
2001
183
18
Atomic-Scale Determination of Misfit Dislocation Loops at Metal-Metal Interfaces
Physical Review Letters
1995
158
19
Constitutional and thermal point defects inB2NiAl
Physical Review B
2000
150
20
Screened Coulomb interactions in metallic alloys. I. Universal screening in the atomic-sphere approximation
Physical Review B
2002
146
21
Calculated site substitution in ternaryγ|IH-Ni3Al: Temperature and composition effects
Physical Review B
1997
138
22
Screened Coulomb interactions in metallic alloys. II. Screening beyond the single-site and atomic-sphere approximations
Physical Review B
2002
121
23
Surface energies and work functions of the transition metal carbides
Surface Science
2004
117
24
Interface magnetism of3dtransition metals
Physical Review B
1999
115
25
Full charge-density scheme with a kinetic-energy correction: Application to ground-state properties of the 4d metals
Physical Review B
1997
99
26
Exchange energy in the local Airy gas approximation
Physical Review B
2000
98
27
Multidimensional Effects on Dissociation ofN2on Ru(0001)
Physical Review Letters
2006
89
28
Fermi level alignment in molecular nanojunctions and its relation to charge transfer
Physical Review B
2006
84
29
CO Oxidation on Rutile-Supported Au Nanoparticles
Angewandte Chemie
2005
82
30
Density functional theory studies of the adsorption of ethylene and oxygen on Pt(111) and Pt[sub 3]Sn(111)
Journal of Chemical Physics
2001
80
31
Designing surface alloys with specific active sites
Catalysis Letters
1996
77
32
The coupling between adsorption dynamics and the surface structure: H2 on Si(100)
Chemical Physics Letters
1994
65
33
Calculated oscillation periods of the interlayer coupling in Fe/Cr/Fe and Fe/Mo/Fe sandwiches
Physical Review B
1996
63
34
Ab InitioStudy of Phase Equilibria inTiCx
Physical Review Letters
2001
63
35
Conduction Mechanism in a Molecular Hydrogen Contact
Physical Review Letters
2005
63
36
The formation energy for steps and kinks on cubic transition metal surfaces
Surface Science
1999
62
37
Size‐Specific Chemistry on Bimetallic Surfaces: A Combined Experimental and Theoretical Study
ChemPhysChem
2007
62
38
The reaction rate for dissociative adsorption of N2 on stepped Ru(0001): Six-dimensional quantum calculations
Journal of Chemical Physics
2005
48
39
Melting a Copper Cluster: Critical-Droplet Theory
Europhysics Letters
1994
45
40
Local kinetic-energy density of the Airy gas
Physical Review A
2000
41
41
Quantum-well-induced ferromagnetism in thin films
Physical Review B
1997
36
42
Advances in deep desulfurization
Studies in Surface Science and Catalysis
1999
34
43
Crystal-Structure Contribution to the Solid Solubility in Transition Metal Alloys
Physical Review Letters
1998
30
44
Ab initio calculations of partial molar properties in the single-site approximation
Physical Review B
1997
26
45
Kinetic-energy functionals studied by surface calculations
Physical Review B
1998
20
46
Metal Surfaces: Surface, Step and Kink Formation Energies
Physica Status Solidi (B): Basic Research
2000
18
47
Ordered Phases inCu2NiZn: A First-Principles Monte Carlo Study
Physical Review Letters
1998
15
48
Cover Picture: Changing the Activity of Electrocatalysts for Oxygen Reduction by Tuning the Surface Electronic Structure (Angew. Chem. Int. Ed. 18/2006)
Angewandte Chemie - International Edition
2006
12
49
Local equilibrium properties of metallic surface alloys
Chemical Physics of Solid Surfaces
2002
10
50
Dissociation of N
2
, NO, and CO on Transition Metal Surfaces
ACS Symposium Series
1999
9
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