115 citations · 135 across the 3 of their papers we have counts for
3 papers
Transferable classical force field for pure and mixed metal halide perovskites parameterized from first principles
Juan Antonio Seijas-Bellido, Bipasa Samanta, Karen Valadez-Villalobos +8
Many key features in photovoltaic perovskites occur in relatively long time scales and involve mixed compositions. This requires realistic but also numerically simple models. In th…
The rust challenge -- On the correlations between electronic structure, excited state dynamics and photoelectrochemical performance of hematite photoanodes for solar water splitting
Daniel A. Grave, Natav Yatom, David S. Ellis +2
In recent years, hematite potential as a photoanode material for solar hydrogen production has ignited a renewed interest in its physical and interfacial properties, which continue…
Strain Controlling Catalytic Efficiency of Water Oxidation for Ni1-xFexOOH alloy
Ester Korkus Hamal, Maytal Caspary Toroker
A catalyst surface may be exposed to strain due to application of load or interfacing with a substrate with large lattice mismatch. In order to test the effect of strain on catalyt…