Nature Communications (Jun 2017)

Group additivity-Pourbaix diagrams advocate thermodynamically stable nanoscale clusters in aqueous environments

  • Lindsay A. Wills,
  • Xiaohui Qu,
  • I-Ya Chang,
  • Thomas J. L. Mustard,
  • Douglas A. Keszler,
  • Kristin A. Persson,
  • Paul Ha-Yeon Cheong

DOI
https://doi.org/10.1038/ncomms15852
Journal volume & issue
Vol. 8, no. 1
pp. 1 – 7

Abstract

Read online

Aqueous clusters are important in a variety of biological and materials systems. Here Willset al. develop a theoretical approach based on a group additivity relationship which allows the evaluation of a wide range of clusters without the need of cumbersome ab initiocalculations.