Jonathan E. Mueller
Jonathan E. Mueller
Postdoctoral fellow, University of Ulm
Verified email at uni-ulm.de
TitleCited byYear
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
2222010
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
1112010
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
622009
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
522010
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
382012
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
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
302014
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
302014
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
272010
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
242010
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
212014
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
202015
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
202014
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
172017
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
162017
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
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
162013
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
162011
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 electrochemical systems
JE Mueller, D Fantauzzi, T Jacob
Electrocatalysis 4, 2013
122013
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Articles 1–20