Data science based mg corrosion engineering

Tim Würger , Christian Feiler , Félix Musil , Gregor Bernhard Vonbun Feldbauer
Frontiers in Materials 6 53

31
2019
Simulations of Various Driving Mechisms for the 3rd Order Resonant Extraction from the MedAustron Medical Synchrotron

U Dorda , M Benedikt , G Feldbauer
Conf. Proc. 110904 ( IPAC-2011-THPS029) 3483 -3485

2011
Suppression of material transfer at contacting surfaces: the effect of adsorbates on Al/TiN and Cu/diamond interfaces from first-principles calculations.

Michael Wolloch , Michael Wolloch , András Vernes , Josef Redinger
Journal of Physics: Condensed Matter 30 ( 10) 105001

4
2018
Effects of van der Waals Interactions in the Adsorption of Isooctane and Ethanol on Fe(100) Surfaces.

Pedro O. Bedolla , Gregor Feldbauer , Michael Wolloch , Stefan J. Eder
Journal of Physical Chemistry C 118 ( 31) 17608 -17615

67
2014
Density Functional Investigation of the Adsorption of Isooctane, Ethanol, and Acetic Acid on a Water-Covered Fe(100) Surface

Pedro O. Bedolla , Gregor Feldbauer , Michael Wolloch , Christoph Gruber
Journal of Physical Chemistry C 118 ( 37) 21428 -21437

15
2014
Van der Waals Interaction Really Matters: Energetics of Benzoic Acid on TiO2 Rutile Surfaces

Wolfgang Heckel , Tim Würger , Stefan Müller , Gregor Feldbauer
Journal of Physical Chemistry C 121 ( 32) 17207 -17214

7
2017
Thermostat Influence on the Structural Development and Material Removal during Abrasion of Nanocrystalline Ferrite.

Stefan J. Eder , Ulrike Cihak-Bayr , Davide Bianchi , Gregor Feldbauer
ACS Applied Materials & Interfaces 9 ( 15) 13713 -13725

2017
Adsorption of Acetone on Rutile TiO2: A DFT and FTIRS Study

Tim Würger , Wolfgang Heckel , Kai Sellschopp , Stefan Müller
Journal of Physical Chemistry C 122 ( 34) 19481 -19490

7
2018
Simulations of Various Driving Mechanisms for the 3rd Order Resonant Extraction from the MedAustron Medical Synchrotron

Gregor Feldbauer , Michael Benedikt , Ulrich Dorda
IPAC2011, San Sebastián, Spain 3481 -3483

6
2011
Ab-initio simulations on adhesion and material transfer between contacting Al and TiN surfaces

Gregor Feldbauer , Michael Wolloch , Peter Mohn , Josef Redinger
Bulletin of the American Physical Society 59

2014
Ab-initio modelling of energy dissipation in nanotribological systems. A DFT study of fcc Cu (111)

Michael Wolloch , Gregor Feldbauer , Peter Mohn , Josef Redinger
APS Meeting Abstracts 1 27002 -27002

2014
Reconstructing the infrared spectrum of a peptide from representative conformers of the full canonical ensemble

Amir Kotobi , Lucas Schwob , Gregor B Vonbun-Feldbauer , Mariana Rossi
Communications chemistry 6 ( 1) 46

2023
Surface structure of magnetite (111) under oxidizing and reducing conditions

Marcus Creutzburg , Kai Sellschopp , Robert Gleißner , Björn Arndt
Journal of Physics: Condensed Matter 34 ( 16) 164003 -164003

11
2022
Sulfur-doped Li1. 3Al0. 3Ti1. 7 (PO4) 3 as a solid electrolyte for all-solid-state batteries: First-principles calculations

Doaa Aasef Ahmed , Abdulkadir Kızılaslan , Mustafa Çelik , Gregor B Vonbun-Feldbauer
Electrochimica Acta 463 142872 -142872

2023
Oxidation-state dynamics and emerging patterns in magnetite

Emre Gürsoy , Gregor B Vonbun-Feldbauer , Robert H Meißner
The Journal of Physical Chemistry Letters 14 ( 30) 6800 -6807

2023
Mechanical properties of TiO 2/carboxylic-acid interfaces from first-principles calculations

Kai Sellschopp , Gregor B Vonbun-Feldbauer
Nanoscale 15 ( 42) 16967 -16975

2023