Florian Göltl

发表

Effect of Temperature on the Adsorption of Short Alkanes in the Zeolite SSZ-13—Adapting Adsorption Isotherms to Microporous Materials

P. Sautet, T. Jiang, Florian Göltl, 2014 .

Synthesis Gas Conversion over Rh-Mn-WxC/SiO2 Catalysts Prepared by Atomic Layer Deposition

M. Mavrikakis, I. Hermans, T. Kuech, 2018, ACS Catalysis.

Can Dynamics Be Responsible for the Complex Multipeak Infrared Spectra of NO Adsorbed to Copper(II) Sites in Zeolites?

I. Hermans, P. Sautet, Florian Göltl, 2015, Angewandte Chemie.

The impact of finite temperature on the coordination of Cu cations in the zeolite SSZ-13

I. Hermans, P. Sautet, Florian Göltl, 2016 .

Single-atom gold oxo-clusters prepared in alkaline solutions catalyse the heterogeneous methanol self-coupling reactions

M. Mavrikakis, M. Flytzani-Stephanopoulos, L. Allard, 2019, Nature Chemistry.

Silica‐Grafted SnIV Catalysts in Hydrogen‐Transfer Reactions

I. Hermans, C. Hammond, S. Conrad, 2015 .

Application of Hybrid Functionals to the Modeling of NO Adsorption on Cu−SAPO-34 and Co−SAPO-34: A Periodic DFT Study

G. Kresse, J. Hafner, Florian Göltl, 2009 .

UV–Vis and Photoluminescence Spectroscopy to Understand the Coordination of Cu Cations in the Zeolite SSZ-13

R. Hamers, G. Kresse, M. Mavrikakis, 2019, Chemistry of Materials.

Structure and properties of metal-exchanged zeolites studied using gradient-corrected and hybrid functionals. III. Energetics and vibrational spectroscopy of adsorbates.

J. Hafner, Florian Göltl, 2012, The Journal of chemical physics.

Cooperative Role of Water Molecules during the Initial Stage of Water-Induced Zeolite Dealumination

B. Weckhuysen, B. Ensing, Florian Göltl, 2019, ACS Catalysis.

Comparing the performance of density functionals in describing the adsorption of atoms and small molecules on Ni(111)

M. Mavrikakis, S. Rangarajan, Florian Göltl, 2020 .

Alignment of semiconducting graphene nanoribbons on vicinal Ge(001).

M. Lagally, R. Martel, M. Arnold, 2019, Nanoscale.

Diffusion Barriers for Carbon Monoxide on the Cu(001) Surface Using Many-Body Perturbation Theory and Various Density Functionals.

P. Sautet, Ziyang Wei, Florian Göltl, 2021, Journal of chemical theory and computation.

Exploring driving forces for length growth in graphene nanoribbons during chemical vapor deposition of hydrocarbons on Ge(0 0 1) via kinetic Monte Carlo simulations

M. Arnold, M. Mavrikakis, R. Jacobberger, 2020 .

Understanding Water–Zeolite Interactions: On the Accuracy of Density Functionals

B. Weckhuysen, J. Louwen, Florian Göltl, 2021, The Journal of Physical Chemistry C.

Alkane adsorption in Na-exchanged chabazite: the influence of dispersion forces.

J. Hafner, Florian Göltl, 2011, The Journal of chemical physics.

Three Grand Challenges for the Computational Design of Heterogeneous Catalysts

Florian Göltl, 2022, The Journal of Physical Chemistry C.

Thermodynamics Perspective on the Stepwise Conversion of Methane to Methanol over Cu-Exchanged SSZ-13

M. Mavrikakis, Florian Göltl, S. Bhandari, 2021 .

Consequences of exchange-site heterogeneity and dynamics on the UV-visible spectrum of Cu-exchanged SSZ-13

F. Ribeiro, W. Schneider, Hui Li, 2018, Chemical science.

Formation of [Cu2O2]2+ and [Cu2O]2+ toward C–H Bond Activation in Cu-SSZ-13 and Cu-SSZ-39

K. Booksh, I. Hermans, R. Lobo, 2017 .

Computationally Exploring Confinement Effects in the Methane-to-Methanol Conversion Over Iron-Oxo Centers in Zeolites

I. Hermans, J. Hafner, P. Sautet, 2016 .

Structure and properties of metal-exchanged zeolites studied using gradient-corrected and hybrid functionals. II. Electronic structure and photoluminescence spectra.

J. Hafner, Florian Göltl, 2012, The Journal of chemical physics.

Anisotropic Synthesis of Armchair Graphene Nanoribbon Arrays from Sub-5 nm Seeds at Variable Pitches on Germanium.

M. Arnold, M. Mavrikakis, R. Jacobberger, 2019, The journal of physical chemistry letters.

Structure and properties of metal-exchanged zeolites studied using gradient-corrected and hybrid functionals. I. Structure and energetics.

J. Hafner, Florian Göltl, 2012, The Journal of chemical physics.

Computational description of key spectroscopic features of zeolite SSZ-13.

M. Mavrikakis, I. Hermans, P. Wolf, 2019, Physical chemistry chemical physics : PCCP.

Developing a Descriptor-Based Approach for CO and NO Adsorption Strength to Transition Metal Sites in Zeolites

Philipp Müller, Philippe Sautet, I. Hermans, 2017 .

Developing a Thermodynamic Model for the Interactions between Water and Cu in the Zeolite SSZ-13

I. Hermans, Alyssa M. Love, Florian Göltl, 2017 .

What Makes Copper-Exchanged SSZ-13 Zeolite Efficient at Cleaning Car Exhaust Gases?

Philippe Sautet, Jürgen Hafner, Rosa E. Bulo, 2013 .

Early stages of water/hydroxyl phase generation at transition metal surfaces--synergetic adsorption and O-H bond dissociation assistance.

P. Sautet, C. Michel, Florian Göltl, 2012, Physical chemistry chemical physics : PCCP.

Modeling Electrochemical Processes with Grand Canonical Treatment of Many-Body Perturbation Theory.

P. Sautet, S. Steinmann, Ziyang Wei, 2022, The journal of physical chemistry letters.

Van der Waals interactions between hydrocarbon molecules and zeolites: periodic calculations at different levels of theory, from density functional theory to the random phase approximation and Møller-Plesset perturbation theory.

Andreas Grüneis, Jürgen Hafner, T. Bučko, 2012, The Journal of chemical physics.

Importance of a Nonlocal Description of Electron–Electron Interactions in Modeling the Dissociative Adsorption of H2 on Cu(100)

P. Sautet, G. Chambaud, C. Houriez, 2014 .

Modelling the adsorption of short alkanes in protonated chabazite: The impact of dispersion forces and temperature

J. Hafner, Florian Göltl, 2013, Microporous and mesoporous materials : the official journal of the International Zeolite Association.

Developing a Descriptor-Based Approach for CO and NO Adsorption Strength to Transition Metal Sites in Zeolites

P. Sautet, P. Müller, Florian Göltl, 2017 .

Density Functional Theory as a Key Approach in Surface Chemistry and Heterogeneous Catalysis

P. Sautet, Florian Göltl, 2013 .

Modeling the adsorption of short alkanes in the zeolite SSZ-13 using “van der Waals” DFT exchange correlation functionals: Understanding the advantages and limitations of such functionals

P. Sautet, Florian Göltl, 2014 .