The evolution of solvation symmetry and composition in Zn halide aqueous solutions from dilute to extreme concentrations

Author:

Dhakal Diwash1ORCID,Driscoll Darren M.2ORCID,Govind Niranjan3ORCID,Stack Andrew G.4ORCID,Rampal Nikhil45ORCID,Schenter Gregory3,Mundy Christopher J.3ORCID,Fister Timothy T.6ORCID,Fulton John L.3,Balasubramanian Mahalingam2ORCID,Seidler Gerald T.7ORCID

Affiliation:

1. Materials Science and Engineering Department, University of Washington, Seattle, WA 98195, USA

2. X-ray Sciences Division, Argonne National Laboratory, Lemont, IL 60439, USA

3. Physical Science Division, Pacific Northwest National Laboratory, Richland, WA 99352, USA

4. Chemical Sciences Division, Oak Ridge National Laboratory, TN, 37831, USA

5. Department of Chemical Engineering, Columbia University, New York, NY 10027, USA

6. Chemical Sciences and Engineering Division, Argonne National Laboratory, Lemont, IL 60439, USA

7. Physics Department, University of Washington, Seattle, WA 98195, USA

Abstract

Valence-to-core X-ray emission spectroscopy is combined with electronic structure theory and molecular dynamics simulations to quantify contact ion pairing in Zn halide aqueous electrolytes.

Funder

U.S. Department of Energy

Publisher

Royal Society of Chemistry (RSC)

Subject

Physical and Theoretical Chemistry,General Physics and Astronomy

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