Publication of Prof. Dr. S. Müller
2021
Heterogeneous adsorption and local ordering of formate on a magnetite surface
Creutzburg, Marcus; Sellschopp, Kai; Tober, Steffen; Grånäs, Elin; Vonk, Vedran; Mayr-Schmölzer, Wernfried; Müller, Stefan; Noei, Heshmat; Vonbun-Feldbauer, Gregor; Stierle, Andreas
The Journal of Physical Chemistry Letters 12: 3847-3852 (2021-04-22)
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2020
2019
Carboxylic acid induced near-surface restructuring of a magnetite surface
Arndt, Björn; Sellschopp, Kai; Creutzburg, Marcus; Grånäs, Elin; Krausert, Konstantin; Vonk, Vedran; Müller, Stefan; Noei, Heshmat; Feldbauer, Gregor; Stierle, Andreas
Communications Chemistry 1 (2): 92 (2019-12-01)
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2018
Adsorption of acetone on rutile TiO2: a DFT and FTIRS study
Würger, Tim; Heckel, Wolfgang; Sellschopp, Kai; Müller, Stefan; Stierle, Andreas; Wang, Yuemin; Noei, Heshmat; Feldbauer, Gregor
Journal of Physical Chemistry C 34 (122): 19481-19490 (2018-08-30)
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Electrocapillary Coupling at Metal Surfaces from First Principles: On the Impact of Excess Charge on Surface Stress and Relaxation
Michl, Anja; Weissmüller, Jörg; Müller, Stefan
Langmuir : the ACS journal of surfaces and colloids 16 (34): 4920-4928 (2018)
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2017
A first principles study on the electronic origins of silver segregation at the Ag-Au (111) surface
Hoppe, Sandra; Müller, Stefan
Journal of Applied Physics 23 (122) : 235303 (2017-12-21)
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Van der Waals Interaction Really Matters: Energetics of Benzoic Acid on TiO₂ Rutile Surfaces
Heckel, Wolfgang; Würger, Tim; Müller, Stefan; Feldbauer, Gregor
Journal of Physical Chemistry C 32 (121): 17207-17214 (2017-08-17)
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Oxygen-vacancy driven electron localization and itinerancy in rutile-based TiO2
Lechermann, Frank; Heckel, Wolfgang; Kristanovski, Oleg; Müller, Stefan
Physical Review B 19 (95): 195159 (2017)
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How silver segregation stabilizes 1D surface gold oxide: A cluster expansion study combined with: Ab initio MD simulations
Hoppe, Sandra; Li, Yong; Moskaleva, Lyudmila; Müller, Stefan
Physical Chemistry Chemical Physics 22 (19): 14845-14853 (2017-05-09)
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2016
Surface excess elasticity of gold: ab initio coefficients and impact on the effective elastic response of nanowires
Elsner, Beatrix A. M.; Müller, Stefan; Bargmann, Swantje; Weissmüller, Jörg
Acta Materialia (124): 468-477 (2017)
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Configurationally exhaustive first-principles study of a quaternary superalloy with a vast configuration space
Maisel, S. B.; Höfler, M.; Müller, Stefan
Physical Review B 1 (94): 014116 (2016-07-25)
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Structure and ordering of oxygen on unreconstructed Ir(100)
Ferstl, Pascal; Schmitt, T.; Schneider, M. Alexander; Hammer, Lutz; Michl, Anja; Müller, Stefan
Physical Review B 23 (93): 235406 (2016-06-03)
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Energy and Spectroscopic Line Shape of the C-O Stretch Mode on Ir(111) in the Presence of Organic Molecules
Endlich, Michael; Michl, Anja; Hildisch, J.; Müller, Stefan; Kröger, Jörg
Journal of Physical Chemistry C 21 (120): 11490-11497 (2016-06-02)
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Self-assembly of nanoscale lateral segregation profiles
Stania, Roland; Heckel, Wolfgang; Kalichava, I.; Bernard, C.; Kerscher, T. C.; Cun, H. Y.; Willmott, P. R.; Schönfeld, B.; Osterwalder, J.; Müller, Stefan; Greber, T.
Physical Review B 16 (93): 161402 (2016-04-07)
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2015
2014
2013
2011
Large-scale lattice gas Monte Carlo simulations for the generalized Ising model
Kerscher, Tobias C.; Müller, Stefan; Snell, Quinn O.; Hart, Gus L. W.
Proceedings - 25th IEEE International Parallel and Distributed Processing Symposium, IPDPS 2011 ; 16 - 20 May 2011, Anchorage, Alaska, USA. - (): 6012860 1234-1241 (2011)
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Recent developments of via and return current path modeling
Müller, Stefan; Duan, Xiaomin; Rimolo-Donadio, Renato; Brüns, Heinz-Dietrich; Schuster, Christian
Proceedings - 2011 International Conference on Electromagnetics in Advanced Applications, ICEAA'11 (): 6046278 1376-1379 (2011)
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