Title
Atomistic level aqueous dissolution dynamics of NASICON-Type Li1+: X Alx Ti2- x (PO4)3(LATP)
Date Issued
01 February 2022
Access level
open access
Resource Type
journal article
Author(s)
Sengul M.Y.
Ndayishimiye A.
Lee W.
Seo J.H.
Fan Z.
Shin Y.K.
Randall C.A.
Van Duin A.C.T.
University Park
Publisher(s)
Royal Society of Chemistry
Abstract
Advancing the atomistic level understanding of aqueous dissolution of multicomponent materials is essential. We combined ReaxFF and experiments to investigate the dissolution at the Li1+xAlxTi2-x(PO4)3-water interface. We demonstrate that surface dissolution is a sequentially dynamic process. The phosphate dissolution destabilizes the NASICON structure, which triggers a titanium-rich secondary phase formation. This journal is
Start page
4125
End page
4130
Volume
24
Issue
7
Language
English
OCDE Knowledge area
Ingeniería de materiales
Ingeniería eléctrica, Ingeniería electrónica
Scopus EID
2-s2.0-85124794799
PubMed ID
Source
Physical Chemistry Chemical Physics
ISSN of the container
14639076
Sponsor(s)
ACTvD acknowledges funding support from the Multi-Scale Fluid-Solid Interactions in Architected and Natural Materials (MUSE) Center funded by U.S. Department of Energy (DOE). C. R. acknowledges partial funding support from the Air Force Office of Scientific Research under Award No. FA9550-16-1-0429. M. Y. S. acknowledges partial funding support from U.S. National Science Foundation under Award No. DMR-1842922. The work presented herein was funded in part by the Advanced Research Projects Agency-Energy, U.S. DOE, under Award No. DE-AR0000766.
Sources of information:
Directorio de Producción Científica
Scopus