276 citations · 1.3k across the 29 of their papers we have counts for
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Direct Fabrication of Atomically Defined Pores in MXenes
Matthew G. Boebinger, Dundar E. Yilmaz, Ayana Ghosh +7
Controlled fabrication of nanopores in atomically thin two-dimensional material offers the means to create robust membranes needed for ion transport, nanofiltration, and DNA sensin…
Strain fluctuations unlock ferroelectricity in wurtzites
Steven M. Baksa, Simon Gelin, Seda Oturak +8
Ferroelectrics are of practical interest for non-volatile data storage due to their reorientable, crystallographically defined polarization. Yet efforts to integrate conventional f…
A Reactive Force Field Approach to Modeling Corrosion of NiCr Alloys in Molten FLiNaK Salts
Hamdy Arkoub, Swarit Dwivedi, Adri C. T. van Duin +1
The interface between NiCr alloys and FLiNaK molten salt exhibits complex corrosion behavior, mainly driven by intricate chemical interactions involving Cr and F ions.…
Mixing I and Br in Inorganic Perovskites: Atomistic Insights from Reactive Molecular Dynamics Simulations
Mike Pols, Adri C. T. van Duin, Sofía Calero +1
All-inorganic halide perovskites have received a lot of attention as attractive alternatives to overcome the stability issues of hybrid halide perovskites that are commonly associa…
Development and Application of a ReaxFF Reactive Force Field for Ni-Doped MoS
Karen Mohammadtabar, Enrique Guerrero, Sergio Romero Garcia +4
The properties of can be tuned or optimized through doping. In particular, Ni doping has been shown to improve the performance of for various appl…