Chemically induced crack instabilitywhen electrodes fracture

Yue Qi, Qingchuan Xu, Anton Van Der Ven

Research output: Research - peer-reviewArticle

  • 8 Citations

Abstract

We show that the resistance to fracture in electrode materials of Li batteries can be altered substantially by varying the chemical potential of Li, or equivalently, the open circuit voltage of a battery (Vcell), due to high Li mobility. Based on a thermodynamic analysis using input from first-principles electronic structure calculations, we determine the dependence of the energy (wf) and critical stress (σf) of decohesion on the cell voltage of Li intercalation compounds. We demonstrate that w f can decrease, increase or stay constant, with Vcell, depending on how the local Li concentration changes as new crack surfaces form. We show that chemically induced crack instabilities can occur when V cell drives phase transitions within the decohering region, resulting in a discontinuous increase in crack separation and a dramatic drop in the maximal stress for decohesion.

LanguageEnglish (US)
JournalJournal of the Electrochemical Society
Volume159
Issue number11
DOIs
StatePublished - 2012
Externally publishedYes

Profile

cracks
electrodes
cells
Cracks
Electrodes
electric batteries
Intercalation compounds
Chemical potential
Open circuit voltage
Electronic structure
Phase transitions
Thermodynamics
Electric potential
surface cracks
critical loading
electrode materials
guy wires
open circuit voltage
intercalation
electronic structure

ASJC Scopus subject areas

  • Electrochemistry
  • Electronic, Optical and Magnetic Materials
  • Materials Chemistry
  • Surfaces, Coatings and Films
  • Renewable Energy, Sustainability and the Environment
  • Condensed Matter Physics

Cite this

Chemically induced crack instabilitywhen electrodes fracture. / Qi, Yue; Xu, Qingchuan; Van Der Ven, Anton.

In: Journal of the Electrochemical Society, Vol. 159, No. 11, 2012.

Research output: Research - peer-reviewArticle

Qi, Yue ; Xu, Qingchuan ; Van Der Ven, Anton. / Chemically induced crack instabilitywhen electrodes fracture. In: Journal of the Electrochemical Society. 2012 ; Vol. 159, No. 11.
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