64 citations · 65 across the 5 of their papers we have counts for
5 papers
Achieving electrode smoothing by controlling the nucleation phase of metal deposition through polymer-substrate binding
Ying Xia, Duo Song, Mingyi Zhang +11
Polymer additives [like polyethylene oxide (PEO)] are widely used for smooth electrode deposition in aqueous zinc and a number of other battery systems currently investigated for e…
Temperature Dependence of Self-diffusion in Cr2O3 from First Principles
Bharat Medasani, Maria L. Sushko, Kevin M. Rosso +2
Understanding and predicting the dominant diffusion processes in Cr2O3 is essential to its optimization for anti-corrosion coatings, spintronics, and other applications. Despite si…
A First Principles Investigation of Native Interstitial Diffusion in Cr2O3
Bharat Medasani, Maria L. Sushko, Kevin M. Rosso +2
First principles density functional theory (DFT) investigation of native interstitials and the associated self-diffusion mechanisms in α-Cr2O3 reveals that interstitials are more m…
The role of correlation and solvation in ion interactions with B-DNA
Maria L. Sushko, Dennis G. Thomas, Suzette A. Pabit +3
The ionic atmospheres around nucleic acids play important roles in biological function. Large-scale explicit solvent simulations coupled to experimental assays such as anomalous sm…
Numerical Solution of 3D Poisson-Nernst-Planck Equations Coupled with Classical Density Functional Theory for Modeling Ion and Electron Transport in a Confined Environment
Da Meng, Bin Zheng, Guang Lin +1
We have developed efficient numerical algorithms for solving 3D steady-state Poisson-Nernst-Planck (PNP) equations with excess chemical potentials described by the classical densit…