Publications
Journal Article (23)
1.
Journal Article
Construction and analysis of surface phase diagrams to describe segregation and dissolution behavior of Al and Ca in Mg alloys. Condensed Matter: Materials Science (2022)
2.
Journal Article
24, 013008 (2022)
Origins of the hydrogen signal in atom probe tomography: case studies of alkali and noble metals. New Journal of Physics 3.
Journal Article
144 (2), pp. 987 - 994 (2022)
Understanding Alkali Contamination in Colloidal Nanomaterials to Unlock Grain Boundary Impurity Engineering. Journal of the American Chemical Society 4.
Journal Article
Controlled Doping of Electrocatalysts through Engineering Impurities. Advanced Materials, 2203030 (2022)
5.
Journal Article
7 (1), 58 (2021)
Finite-size correction for slab supercell calculations of materials with spontaneous polarization. npj Computational Materials 6.
Journal Article
126 (16), 166802 (2021)
Impact of Water Coadsorption on the Electrode Potential of H–Pt(1 1 1)-Liquid Water Interfaces. Physical Review Letters 7.
Journal Article
126 (13), 136803 (2021)
Dielectric Properties of Nanoconfined Water: A Canonical Thermopotentiostat Approach. Physical Review Letters 8.
Journal Article
66 (2021)
Defect phases–thermodynamics and impact on material properties. International Materials Reviews 9.
Journal Article
Origins of the hydrogen signal in atom probe tomography. Condensed Matter: Materials Science (2021)
10.
Journal Article
102 (10), 100101(R) (2020)
Anharmonic free energy of lattice vibrations in fcc crystals from a mean-field bond. Physical Review B 11.
Journal Article
163, pp. 24 - 36 (2019)
pyiron: An integrated development environment for computational materials sciences. Computational Materials Science 12.
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 13.
Journal Article
120 (24), 246801 (2018)
First-Principles Approach to Model Electrochemical Reactions: Understanding the Fundamental Mechanisms behind Mg Corrosion. Physical Review Letters 14.
Journal Article
120 (6), 066101 (2018)
Selective Solvent-Induced Stabilization of Polar Oxide Surfaces in an Electrochemical Environment. Physical Review Letters 15.
Journal Article
32 (4), pp. 1027 - 1033 (2016)
Ab Initio Determined Phase Diagram of Clean and Solvated Muscovite Mica Surfaces. Langmuir 16.
Journal Article
90, pp. 69 - 76 (2015)
A first principles investigation of zine induced embrittlement at grain boundaries in bcc iron. Acta Materialia 17.
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 18.
Journal Article
180, pp. 97 - 112 (2015)
Identification of bulk oxide defects in an electrochemical environment. Faraday Discussions 19.
Journal Article
113 (13), 136102 (2014)
Negatively charged ions on Mg(0001) surfaces: Appearance and origin of attractive adsorbate-adsorbate interactions. Physical Review Letters 20.
Journal Article
1 (1), 014001 (2014)
Extending the concept of defect chemistry from semiconductor physics to electrochemistry. Physical Review Applied