15 citations · 15 across the 2 of their papers we have counts for
5 papers
Universal Synthesis of Large-Area Hybrid Perovskite Monolayers Enabling Lithography-Free, Low-Static-Power Optoelectronics
Shankeerthan Kalyanasundaram, Swarit Dwivedi, Sanje Mahasivam +2
Solution-phase synthesis of monolayer hybrid organic-inorganic perovskites is constrained by rapid out-of-plane crystal growth, uncontrolled nucleation, and strong interlayer aggre…
Preparation sequence controls oxygen partitioning between boron and lithium on tungsten
Predrag S Krstic, Meral Sharkass, Swarit Dwivedi +3
Classical reactive molecular dynamics of boron- and lithium-conditioned tungsten surfaces show that the order in which boron and oxygen are introduced - not the boron inventory - c…
ReaxKit: A Modular Python Toolkit for Preparing, Parsing, and Analyzing ReaxFF Molecular Dynamics Simulations
Ali Mohammadi Dinani, Alireza Sepehrinezhad, Anirban Phukan +7
Empirical reactive force field (RFF) molecular dynamics enables atomistic simulation of bond breaking, bond formation, charge redistribution, and structural evolution in chemically…
Suitability of ReaxFF potential for MD modelling of lithium across low and high temperatures
Predrag S. Krstic, Swarit Dwivedi, Adri C. T. van Duin +1
Modeling lithium's atomic-scale behavior is critical for its roles in plasma-facing fusion components and lithium-ion batteries, yet it remains challenging across phase regimes. Th…
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.…