222 citations · 637 across the 9 of their papers we have counts for
9 papers
Chemical and structural characterization of the native oxide scale on a Mg-based alloy
Deborah Neuß, Ingrid E. McCarroll, Siyuan Zhang +11
In this study, the structure and composition of the native oxide forming on the basal plane (0001) of Mg-2Al-0.1Ca is investigated by a correlative approach, combining scanning tra…
Construction and analysis of surface phase diagrams to describe segregation and dissolution behavior of Al and Ca in Mg alloys
Jing Yang, K. B. Sravan Kumar, Mira Todorova +1
Segregation and dissolution behavior of Mg alloyed with Ca and Al are studied by performing density functional theory calculations considering an extensive set of surface structure…
Controlled doping of electrocatalysts through engineering impurities
Se-Ho Kim, Su-Hyun Yoo, Sangyong Shin +9
Fuel cells recombine water from H2 and O2 thereby powering e.g. cars or houses with no direct carbon emission. In anion-exchange membrane fuel cells (AEMFCs), to reach high power d…
Origins of the hydrogen signal in atom probe tomography
Su-Hyun Yoo, Se-Ho Kim, Eric Woods +3
Atom Probe Tomography (APT) analysis is being actively used to provide near-atomic-scale information on the composition of complex materials in three-dimensions. In recent years, t…
Understanding alkali contamination in colloidal nanomaterials to unlock grain boundary impurity engineering
Se-Ho Kim, Su-Hyun Yoo, Poulami Chakraborty +10
Metal nano-aerogels combine a large surface area, a high structural stability, and a high catalytic activity towards a variety of chemical reactions. The performance of such nanost…
Dielectric properties of nano-confined water: a canonical thermopotentiostat approach
F. Deißenbeck, C. Freysoldt, M. Todorova +2
We introduce a novel approach to sample the canonical ensemble at constant temperature and applied electric potential. Our approach can be straightforwardly implemented into any de…
Density-functional theory study of the initial oxygen incorporation in Pd(111)
Mira Todorova, Karsten Reuter, Matthias Scheffler
Pd(111) has recently been shown to exhibit a propensity to form a sub-nanometer thin surface oxide film already well before a full monolayer coverage of adsorbed O atoms is reached…
Kinetic hindrance during the initial oxidation of Pd(100) at ambient pressures
E. Lundgren, A. Stierle, M. Todorova +7
The oxidation of the Pd(100) surface at oxygen pressures in the 10^-6 to 10^3 mbar range and temperatures up to 1000 K has been studied in-situ by surface x-ray diffraction (SXRD).…
The Pd(100)-(SQRT(5) x SQRT(5) R27^o)-O surface oxide revisited
M. Todorova, E. Lundgren, V. Blum +8
Combining high-resolution core-level spectroscopy (HRCLS), scanning tunneling microscopy (STM) and density-functional theory (DFT) calculations we reanalyze the Pd(100)-(SQRT(5) x…