249 citations · 267 across the 7 of their papers we have counts for
4 papers · 1 filter
Role of Wadsley Defects and Cation Disorder to Enhance MoNb12O33 Diffusion
CJ Sturgill, Manish Kumar, Nima Karimitari +8
Wadsley-Roth (WR) niobates have emerged as high-rate anode materials that can combine rapid ionic diffusion with good electronic conductivity. WR compounds have been defect-enhance…
Combined Experimental and Computational Analysis of Lithium Diffusion in Isostructural Pair VNb9O25 and VTa9O25
Manish Kumar, Md Abdullah Al Muhit, CJ Sturgill +6
Wadsley-Roth crystal structures are an attractive class of materials for batteries because lithium diffusion is facilitated by the ReO3-like block structure with electron transport…
Accurate Crystal Structure Prediction of New 2D Hybrid Organic Inorganic Perovskites
Nima Karimitari, William J. Baldwin, Evan W. Muller +4
Low dimensional hybrid organic-inorganic perovskites (HOIPs) represent a promising class of electronically active materials for both light absorption and emission. The design space…
Improving the reliability of machine learned potentials for modeling inhomogenous liquids
Kamron Fazel, Nima Karimitari, Tanooj Shah +2
The atomic-scale response of inhomogeneous fluids at interfaces and surrounding solute particles plays a critical role in governing chemical, electrochemical and biological process…