4 citations · 5 across the 2 of their papers we have counts for
3 papers
Bicarbonate/carbonic acid equilibria in aqueous solutions: Conformational Dynamics, Ion-Pair Speciation, and Free Energy Landscapes from Ab Initio Molecular Dynamics and Metadynamics
Prabhat Prakash, Karnamohit Ranka, Frances A. Houle +1
Carbonic acid (H2CO3) is connected with the dissolved CO2 and bicarbonate (HCO3-) equilibria in aqueous solutions. Its two elementary reactions in water, acid dissociation and dehy…
Nanoconfined Grain Boundaries Increase Conductivity of Polycrystalline Molecular Crystals
Shujit Chandra Paul, William A. Goddard, Michael J. Zdilla +2
Soft-solid molecular crystals consist of crystalline grains and fluid grain boundaries (GB) that enhance grain binding and transport of Li+ ions between the grains. The total ionic…
How individual vs shared coordination governs the degree of correlation in rotational vs residence times in a high-viscosity lithium electrolyte
Vinay Thakur, Prabhat Prakash, Raghavan Ranganathan
Commercially used carbonate-based electrolytes in lithium-ion batteries are susceptible to many challenges, including flammability, volatility, and lower thermal stability. Solvate…