Computational and experimental investigation of the effect of cation structure on the solubility of anionic flow battery active-materials

Abstract

Active-material solubility is critical in determining NRFB energy density, yet a predictive model accounting for solid-state cohesion energy has remained elusive. Herein we present such, based on an empirically calibrated computational framework.

Document Details

Document Type
Pub Defense Publication
Publication Date
Jan 01, 2021
Source ID
10.1039/d1sc04990a

Entities

People

  • Benjoe Rey B. Visayas
  • Ertan Agar
  • James A. Golen
  • Maricris L. Mayes
  • Patrick J. Cappillino
  • Shyam K. Pahari
  • Tugba Ceren Gokoglan

Organizations

  • Office of Naval Research
  • University of Massachusetts
  • University of Massachusetts Dartmouth
  • University of Massachusetts Lowell

Tags

Readers

  • Computational Modeling and Simulation
  • Organic Chemistry
  • Systems Analysis and Design