Super-Reduced Polyoxometalates: Excellent Molecular Cluster Battery Components and Semipermeable Molecular Capacitors.

Theoretical investigations are presented on the molecular and electronic structure changes that occur as α-Keggin-type polyoxometalate (POM) clusters [PMO] (M = Mo, W) are converted toward their super-reduced POM state during the discharging process in lithium-based molecular cluster batteries. Dens...

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Bibliographic Details

Published in:	Journal of the American Chemical Society Vol. 136; no. 25; pp. 9042 - 9053
Main Authors:	Yoshio Nishimoto, Daisuke Yokogawa, Hirofumi Yoshikawa, Kunio Awaga, Irle, Stephen
Format:	Article
Published:	American Chemical Society 6/25/2014
Subjects:	Polyoxometalates Molecular clusters Potential energy surfaces Density functional theory Molecular dynamics Lithium cells
Online Access:	View this record in EBSCOhost