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Journal Article (14)
1.
Journal Article
102 (10), 100101(R) (2020)
Anharmonic free energy of lattice vibrations in fcc crystals from a mean-field bond. Physical Review B 2.
Journal Article
163, pp. 24 - 36 (2019)
pyiron: An integrated development environment for computational materials sciences. Computational Materials Science 3.
Journal Article
123 (9), pp. 5495 - 5506 (2019)
Deciphering Charge Transfer and Electronic Polarization Effects at Gold Nanocatalysts on Reduced Titania Support. The Journal of Physical Chemistry C 4.
Journal Article
120 (24), 246801 (2018)
First-Principles Approach to Model Electrochemical Reactions: Understanding the Fundamental Mechanisms behind Mg Corrosion. Physical Review Letters 5.
Journal Article
120 (6), 066101 (2018)
Selective Solvent-Induced Stabilization of Polar Oxide Surfaces in an Electrochemical Environment. Physical Review Letters 6.
Journal Article
32 (4), pp. 1027 - 1033 (2016)
Ab Initio Determined Phase Diagram of Clean and Solvated Muscovite Mica Surfaces. Langmuir 7.
Journal Article
90, pp. 69 - 76 (2015)
A first principles investigation of zine induced embrittlement at grain boundaries in bcc iron. Acta Materialia 8.
Journal Article
631, pp. 190 - 195 (2015)
Connecting semiconductor defect chemistry with electrochemistry: Impact of the electrolyte on the formation and concentration of point defects in ZnO. Surface Science 9.
Journal Article
180, pp. 97 - 112 (2015)
Identification of bulk oxide defects in an electrochemical environment. Faraday Discussions 10.
Journal Article
113 (13), 136102 (2014)
Negatively charged ions on Mg(0001) surfaces: Appearance and origin of attractive adsorbate-adsorbate interactions. Physical Review Letters 11.
Journal Article
1 (1), 014001 (2014)
Extending the concept of defect chemistry from semiconductor physics to electrochemistry. Physical Review Applied 12.
Journal Article
82 (16), 165418 (2010)
Hydrogen Adsorption on polar ZnO(0001)–Zn: Extending equilibrium surface phase diagrams to kinetically stabilized structures. Physical Review B 13.
Journal Article
103 (6), 065502 (2009)
Temperature Stabilized reconstructions at polar ZnO(0001). Physical Review Letters 14.
Journal Article
601, pp. 4775 - 4785 (2007)
Nitrogen adsorption and thin surface nitrides on Cu(111) from first-principles. Surface Science Book Chapter (1)
15.
Book Chapter
Handling Time and Temperature in Materials Simulation. In: Characterization of Materials, 2nd Edition (Ed. Kaufman, E. N.). WILEY (2012)
Meeting Abstract (2)
16.
Meeting Abstract
Impact of the vapour pressure of water on the equilibrium shape of ZnO nanoparticles: An ab-initio study. In APS March Meeting 2014, abstract #Q2.009. APS March Meeting 2014 , Denver, CO, USA, March 03, 2014 - March 07, 2014. (2014)
17.
Meeting Abstract
Impact of the vapour pressure of water on the equilibrium shape of ZnO nanoparticles: An ab-initio study. In DPG Spring Meeting 2014, Abstract: O50.6. DPG Spring Meeting 2014 , Dresden, Germany, March 30, 2014 - April 04, 2015. (2014)
Talk (81)
18.
Talk
From semiconductor defect chemistry to electrochemistry: Challenges and insights. AMaSiS 2018 Workshop, Weierstrass Institute for Applied Analysis and Stochastics, Berlin, Germany (2018)
19.
Talk
Stability and reactivity of solid/liquid interfaces from ab initio calculations. International Workshop on Computational Electrochemistry, Aalto University, Helsinki, Finland (2018)
20.
Talk
Insights into electrochemical problems from the perspective of semiconductor defect chemistry. International Workshop on Computational Electrochemistry, Aalto University, Helsinki, Finland (2018)