Florian Goeltl
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Selective oxidative dehydrogenation of propane to propene using boron nitride catalysts
JT Grant, CA Carrero, F Goeltl, J Venegas, P Mueller, SP Burt, SE Specht, ...
Science 354 (6319), 1570-1573, 2016
Formation of [Cu2O2]2+ and [Cu2O]2+ toward C–H Bond Activation in Cu-SSZ-13 and Cu-SSZ-39
B Ipek, MJ Wulfers, H Kim, F Goltl, I Hermans, JP Smith, KS Booksh, ...
Acs Catalysis 7 (7), 4291-4303, 2017
Van der Waals interactions between hydrocarbon molecules and zeolites: Periodic calculations at different levels of theory, from density functional theory to the random phase …
F Göltl, A Grüneis, T Bučko, J Hafner
The Journal of Chemical Physics 137 (11), 2012
What makes copper-exchanged SSZ-13 zeolite efficient at cleaning car exhaust gases?
F Göltl, RE Bulo, J Hafner, P Sautet
The Journal of Physical Chemistry Letters 4 (14), 2244-2249, 2013
Consequences of exchange-site heterogeneity and dynamics on the UV-visible spectrum of Cu-exchanged SSZ-13
H Li, C Paolucci, I Khurana, LN Wilcox, F Göltl, JD Albarracin-Caballero, ...
Chemical science 10 (8), 2373-2384, 2019
Computationally exploring confinement effects in the methane-to-methanol conversion over iron-oxo centers in zeolites
F Goltl, C Michel, PC Andrikopoulos, AM Love, J Hafner, I Hermans, ...
Acs Catalysis 6 (12), 8404-8409, 2016
Single-atom gold oxo-clusters prepared in alkaline solutions catalyse the heterogeneous methanol self-coupling reactions
S Cao, M Yang, AO Elnabawy, A Trimpalis, S Li, C Wang, F Göltl, Z Chen, ...
Nature Chemistry 11 (12), 1098-1105, 2019
Structure and properties of metal-exchanged zeolites studied using gradient-corrected and hybrid functionals. I. Structure and energetics
F Göltl, J Hafner
The Journal of Chemical Physics 136 (6), 064501, 2012
Alkane adsorption in Na-exchanged chabazite: The influence of dispersion forces
F Göltl, J Hafner
The Journal of chemical physics 134 (6), 2011
Cooperative role of water molecules during the initial stage of water-induced zeolite dealumination
K Stanciakova, B Ensing, F Goltl, RE Bulo, BM Weckhuysen
ACS Catalysis 9 (6), 5119-5135, 2019
Synthesis gas conversion over Rh-based catalysts promoted by Fe and Mn
Y Liu, F Goeltl, I Ro, MR Ball, C Sener, IB Aragăo, D Zanchet, GW Huber, ...
ACS catalysis 7 (7), 4550-4563, 2017
Structure and properties of metal-exchanged zeolites studied using gradient-corrected and hybrid functionals. III. Energetics and vibrational spectroscopy of adsorbates
F Göltl, J Hafner
The Journal of Chemical Physics 136 (6), 064503, 2012
Modelling the adsorption of short alkanes in protonated chabazite: The impact of dispersion forces and temperature
F Göltl, J Hafner
Microporous and mesoporous materials 166, 176-184, 2013
The impact of finite temperature on the coordination of Cu cations in the zeolite SSZ-13
F Göltl, P Sautet, I Hermans
Catalysis Today 267, 41-46, 2016
Developing a descriptor-based approach for CO and NO adsorption strength to transition metal sites in zeolites
F Göltl, P Müller, P Uchupalanun, P Sautet, I Hermans
Chemistry of Materials 29 (15), 6434-6444, 2017
Can dynamics be responsible for the complex multipeak Infrared spectra of NO adsorbed to copper (II) sites in zeolites?
F Göltl, P Sautet, I Hermans
Angewandte Chemie International Edition 54 (27), 7799-7804, 2015
Effect of Temperature on the Adsorption of Short Alkanes in the Zeolite SSZ-13 Adapting Adsorption Isotherms to Microporous Materials
T Jiang, F Göltl, RE Bulo, P Sautet
Acs Catalysis 4 (7), 2351-2358, 2014
Thermodynamics perspective on the stepwise conversion of methane to methanol over Cu-exchanged SSZ-13
F Goltl, S Bhandari, M Mavrikakis
ACS Catalysis 11 (13), 7719-7734, 2021
Developing a Thermodynamic Model for the Interactions between Water and Cu in the Zeolite SSZ-13
F Göltl, AM Love, I Hermans
The Journal of Physical Chemistry C 121 (11), 6160-6169, 2017
Early stages of water/hydroxyl phase generation at transition metal surfaces–synergetic adsorption and O–H bond dissociation assistance
C Michel, F Göltl, P Sautet
Physical Chemistry Chemical Physics 14 (44), 15286-15290, 2012
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