Theoretical surface science A Gross
A Microscopic Perspective. Originally published in the series: Advanced …, 2003
526 2003 Six-Dimensional Quantum Dynamics of Adsorption and Desorption of A Gross, S Wilke, M Scheffler
Physical review letters 75 (14), 2718, 1995
465 1995 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
442 2004 Reactions at surfaces studied by ab initio dynamics calculations A Groß
Surface science reports 32 (8), 291-340, 1998
424 1998 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), 2014
420 2014 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
402 2003 Properties of metal–water interfaces studied from first principles S Schnur, A Groß
New Journal of Physics 11 (12), 125003, 2009
367 2009 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
338 2011 Self-diffusion barriers: possible descriptors for dendrite growth in batteries? M Jäckle, K Helmbrecht, M Smits, D Stottmeister, A Groß
Energy & Environmental Science 11 (12), 3400-3407, 2018
321 2018 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
286 2016 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), 2010
260 2010 Toward an atomic-scale understanding of electrochemical interface structure and dynamics OM Magnussen, A Groß
Journal of the American Chemical Society 141 (12), 4777-4790, 2019
259 2019 Reactivity of bimetallic systems studied from first principles A Groß
Topics in Catalysis 37, 29-39, 2006
253 2006 Insight into sodium insertion and the storage mechanism in hard carbon M Anji Reddy, M Helen, A Groß, M Fichtner, H Euchner
ACS Energy Letters 3 (12), 2851-2857, 2018
227 2018 Dissociative adsorption of hydrogen on strained Cu surfaces S Sakong, A Groß
Surface science 525 (1-3), 107-118, 2003
203 2003 Ab initio A Gross, M Scheffler
Physical Review B 57 (4), 2493, 1998
203 1998 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
187 2002 Strain and coordination effects in the adsorption properties of early transition metals: A density-functional theory study S Schnur, A Groß
Physical Review B—Condensed Matter and Materials Physics 81 (3), 033402, 2010
182 2010 The electric double layer at metal-water interfaces revisited based on a charge polarization scheme S Sakong, A Groß
The Journal of chemical physics 149 (8), 2018
178 2018 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
177 1994 