Axel Gross
Axel Gross
Institute of Theoretical Chemistry, Ulm University, and Helmholtz-Institute Ulm- Electrochemical
Bestätigte E-Mail-Adresse bei uni-ulm.de - Startseite
Titel
Zitiert von
Zitiert von
Jahr
Six-dimensional quantum dynamics of adsorption and desorption of H 2 at Pd (100): steering and steric effects
A Groß, S Wilke, M Scheffler
Physical review letters 75 (14), 2718, 1995
4581995
Theoretical surface science
A Groß
A Microscopic Perspective. Originally published in the series: Advanced …, 2003
4432003
Reactions at surfaces studied by ab initio dynamics calculations
A Groß
Surface science reports 32 (8), 291-340, 1998
4031998
Surface strain versus substrate interaction in heteroepitaxial metal layers: Pt on Ru (0001)
A Schlapka, M Lischka, A Groß, U Käsberger, P Jakob
Physical Review Letters 91 (1), 016101, 2003
3412003
Representing high-dimensional potential-energy surfaces for reactions at surfaces by neural networks
S Lorenz, A Groß, M Scheffler
Chemical Physics Letters 395 (4-6), 210-215, 2004
3042004
Experimental analysis of charge redistribution due to chemical bonding by high-resolution transmission electron microscopy
JC Meyer, S Kurasch, HJ Park, V Skakalova, D Künzel, A Groß, A Chuvilin, ...
Nature materials 10 (3), 209-215, 2011
2902011
Properties of metal–water interfaces studied from first principles
S Schnur, A Groß
New Journal of Physics 11 (12), 125003, 2009
2622009
Adsorption of small aromatic molecules on the (111) surfaces of noble metals: A density functional theory study with semiempirical corrections for dispersion effects
K Tonigold, A Groß
The Journal of chemical physics 132 (22), 224701, 2010
2392010
Reactivity of bimetallic systems studied from first principles
A Groß
Topics in Catalysis 37 (1), 29-39, 2006
2202006
Ab initio quantum and molecular dynamics of the dissociative adsorption of hydrogen on Pd(100)
A Groß, M Scheffler
Physical Review B 57 (4), 2493, 1998
1991998
Microscopic properties of lithium, sodium, and magnesium battery anode materials related to possible dendrite growth
M Jäckle, A Groß
The Journal of chemical physics 141 (17), 174710, 2014
1952014
High-dimensional quantum dynamics of adsorption and desorption of H 2 at Cu (111)
A Gross, B Hammer, M Scheffler, W Brenig
Physical review letters 73 (23), 3121, 1994
1751994
Quantum theory of dissociative chemisorption on metal surfaces
GJ Kroes, A Gross, EJ Baerends, M Scheffler, DA McCormack
Accounts of chemical research 35 (3), 193-200, 2002
1722002
Dissociative adsorption of hydrogen on strained Cu surfaces
S Sakong, A Groß
Surface science 525 (1-3), 107-118, 2003
1632003
Local reactivity of metal overlayers: Density functional theory calculations of Pd on Au
A Roudgar, A Groß
Physical Review B 67 (3), 033409, 2003
1612003
Fluoride ion batteries: Theoretical performance, safety, toxicity, and a combinatorial screening of new electrodes
F Gschwind, G Rodriguez-Garcia, DJS Sandbeck, A Gross, M Weil, ...
Journal of Fluorine Chemistry 182, 76-90, 2016
1472016
Challenges in the first-principles description of reactions in electrocatalysis
S Schnur, A Groß
Catalysis today 165 (1), 129-137, 2011
1462011
Local reactivity of thin Pd overlayers on Au single crystals
A Roudgar, A Groß
Journal of Electroanalytical Chemistry 548, 121-130, 2003
1462003
Local density of states effects at the metal-molecule interfaces in a molecular device
HG Boyen, P Ziemann, U Wiedwald, V Ivanova, DM Kolb, S Sakong, ...
Nature materials 5 (5), 394-399, 2006
1242006
Descriptions of surface chemical reactions using a neural network representation of the potential-energy surface
S Lorenz, M Scheffler, A Gross
Physical Review B 73 (11), 115431, 2006
1242006
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