Original paper

Exploring the sodium storage mechanism in disodium terephthalate as anode for organic battery using density-functional theory calculations

Volume: 324, Pages: 572 - 581
Published: Aug 1, 2016
Abstract
We present an ab initio study of sodium storage mechanism in disodium terephthalate (Na2TP) which is a very promising anode material for organic sodium (Na)-ion batteries with reported experimental capacities of ∼255 mAh g−1, previously attributed to Na attachment to the two carboxylate groups (coordinating to oxygen atoms). We show here that the inserted Na atoms prefer to bind at carboxylate sites at low Na concentrations and are dominant for...
Paper Details
Title
Exploring the sodium storage mechanism in disodium terephthalate as anode for organic battery using density-functional theory calculations
Published Date
Aug 1, 2016
Volume
324
Pages
572 - 581
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