Jonathan E. Mueller
Jonathan E. Mueller
Postdoctoral fellow, University of Ulm
Verified email at uni-ulm.de
Title
Cited by
Cited by
Year
Development and validation of ReaxFF reactive force field for hydrocarbon chemistry catalyzed by nickel
JE Mueller, ACT van Duin, WA Goddard III
The Journal of Physical Chemistry C 114 (11), 4939-4949, 2010
2462010
Application of the ReaxFF reactive force field to reactive dynamics of hydrocarbon chemisorption and decomposition
JE Mueller, ACT van Duin, WA Goddard III
The Journal of Physical Chemistry C 114 (12), 5675-5685, 2010
1202010
Structures, Energetics, and Reaction Barriers for CHx Bound to the Nickel (111) Surface
JE Mueller, ACT van Duin, WA Goddard III
The Journal of Physical Chemistry C 113 (47), 20290-20306, 2009
652009
Development of a ReaxFF reactive force field for aqueous chloride and copper chloride
O Rahaman, ACT Van Duin, VS Bryantsev, JE Mueller, SD Solares, ...
The Journal of Physical Chemistry A 114 (10), 3556-3568, 2010
582010
The Role of Co‐Adsorbed CO and OH in the Electrooxidation of Formic Acid on Pt (111)
W Gao, JE Mueller, Q Jiang, T Jacob
Angewandte Chemie International Edition 51 (37), 9448-9452, 2012
402012
Development of a ReaxFF potential for Pt–O systems describing the energetics and dynamics of Pt-oxide formation
D Fantauzzi, J Bandlow, L Sabo, JE Mueller, ACT van Duin, T Jacob
Physical Chemistry Chemical Physics 16 (42), 23118-23133, 2014
352014
Novel transmetalation reaction for electrolyte synthesis for rechargeable magnesium batteries
Z Zhao-Karger, JE Mueller, X Zhao, O Fuhr, T Jacob, M Fichtner
RSC advances 4 (51), 26924-26927, 2014
342014
Nickel cluster growth on defect sites of graphene: A computational study
W Gao, JE Mueller, J Anton, Q Jiang, T Jacob
Angewandte Chemie International Edition 52 (52), 14237-14241, 2013
342013
Competing, Coverage-Dependent Decomposition Pathways for C2Hy Species on Nickel (111)
JE Mueller, ACT van Duin, WA Goddard III
The Journal of Physical Chemistry C 114 (47), 20028-20041, 2010
322010
A Porphyrin Complex as a Self‐Conditioned Electrode Material for High‐Performance Energy Storage
P Gao, Z Chen, Z Zhao‐Karger, JE Mueller, C Jung, S Klyatskaya, ...
Angewandte Chemie 129 (35), 10477-10482, 2017
292017
ReaxFF Monte Carlo reactive dynamics: Application to resolving the partial occupations of the M1 phase of the MoVNbTeO catalyst
WA Goddard III, JE Mueller, K Chenoweth, ACT van Duin
Catalysis Today 157 (1-4), 71-76, 2010
252010
Surface buckling and subsurface oxygen: Atomistic insights into the surface oxidation of Pt (111)
D Fantauzzi, JE Mueller, L Sabo, ACT Van Duin, T Jacob
ChemPhysChem 16 (13), 2797-2802, 2015
242015
Bimetallic alloys in action: dynamic atomistic motifs for electrochemistry and catalysis
JE Mueller, P Krtil, LA Kibler, T Jacob
Physical Chemistry Chemical Physics 16 (29), 15029-15042, 2014
242014
ReaxFF reactive force-field modeling of the triple-phase boundary in a solid oxide fuel cell
BV Merinov, JE Mueller, ACT van Duin, Q An, WA Goddard III
The journal of physical chemistry letters 5 (22), 4039-4043, 2014
232014
Growth of Stable Surface Oxides on Pt (111) at Near‐Ambient Pressures
D Fantauzzi, S Krick Calderón, JE Mueller, M Grabau, C Papp, ...
Angewandte Chemie International Edition 56 (10), 2594-2598, 2017
192017
Surface Stability of Pt3Ni Nanoparticulate Alloy Electrocatalysts in Hydrogen Adsorption
H Hoffmannová, M Okube, V Petrykin, P Krtil, JE Mueller, T Jacob
Langmuir 29 (29), 9046-9050, 2013
182013
Structures, mechanisms, and kinetics of ammoxidation and selective oxidation of propane over the M2 phase of MoVNbTeO catalysts
WA Goddard, L Liu, JE Mueller, S Pudar, RJ Nielsen
Topics in Catalysis 54 (10-12), 659-668, 2011
182011
Topologically sensitive surface segregations of Au–Pd alloys in electrocatalytic hydrogen evolution
M Okube, V Petrykin, JE Mueller, D Fantauzzi, P Krtil, T Jacob
ChemElectroChem 1 (1), 207-212, 2014
162014
Molecular dynamics simulations of carbon-supported Ni clusters using the reax reactive force field
CF Sanz-Navarro, PO Åstrand, D Chen, M Rønning, ACT Duin, JE Mueller, ...
The Journal of Physical Chemistry C 112 (33), 12663-12668, 2008
142008
Multiscale modeling of Au-island ripening on Au (100)
K Kleiner, A Comas-Vives, M Naderian, JE Mueller, D Fantauzzi, ...
Adv. Phys. Chem 2011, 252591, 2011
122011
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