Kinetics-Controlled Degradation Reactions at Crystalline LiPON/LixCoO2 and Crystalline LiPON/Li-Metal Interfaces

Leung, Kevin; Pearse, Alexander J.; Talin, A. Alec; Fuller, Elliot J.; Rubloff, Gary W.; Modine, Normand A.

doi:10.1002/cssc.201800027

Title: Kinetics-Controlled Degradation Reactions at Crystalline LiPON/Li_xCoO₂ and Crystalline LiPON/Li-Metal Interfaces

Journal Article · Fri Mar 30 00:00:00 EDT 2018 · ChemSusChem

DOI:https://doi.org/10.1002/cssc.201800027· OSTI ID:1473925

^[1]; Pearse, Alexander J. ^[2]; Talin, A. Alec ^[3]; Fuller, Elliot J. ^[3]; Rubloff, Gary W. ^[2]; Modine, Normand A. ^[1]

Sandia National Lab. (SNL-NM), Albuquerque, NM (United States)
Univ. of Maryland, College Park, MD (United States). Dept. of Materials Science and Engineering
Sandia National Lab. (SNL-CA), Livermore, CA (United States)

Detailed understanding of solid–solid interface structure–function relationships is critical for the improvement and wide deployment of all-solid-state batteries. The interfaces between lithium phosphorous oxynitride (LiPON) solid electrolyte material and lithium metal anode, and between LiPON and Li_xCoO₂ cathode, have been reported to generate solid–electrolyte interphase (SEI)-like products and/or disordered regions. In this paper, using electronic structure calculations and crystalline LiPON models, we predict that LiPON models with purely P-N-P backbones are kinetically inert towards lithium at room temperature. In contrast, transfer of oxygen atoms from low-energy Li_xCoO₂(104) surfaces to LiPON is much faster under ambient conditions. The mechanisms of the primary reaction steps, LiPON structural motifs that readily reacts with lithium metal, experimental results on amorphous LiPON to partially corroborate these predictions, and possible mitigation strategies to reduce degradations are discussed. Finally, LiPON interfaces are found to be useful case studies for highlighting the importance of kinetics-controlled processes during battery assembly at moderate processing temperatures.

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Research Organization:: Sandia National Lab. (SNL-NM), Albuquerque, NM (United States); Sandia National Lab. (SNL-CA), Livermore, CA (United States); Univ. of Maryland, College Park, MD (United States)

Sponsoring Organization:: USDOE National Nuclear Security Administration (NNSA); USDOE Office of Science (SC), Basic Energy Sciences (BES)

Grant/Contract Number:: NA0003525; SC0001160

OSTI ID:: 1473925

Alternate ID(s):: OSTI ID: 1433554

Report Number(s):: SAND2018-9824J; 667679

Journal Information:: ChemSusChem, Vol. 11, Issue 12; ISSN 1864-5631

Publisher:: ChemPubSoc EuropeCopyright Statement

Country of Publication:: United States

Language:: English

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Cited by: 30 works

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solid-solid reactions

Title: Kinetics-Controlled Degradation Reactions at Crystalline LiPON/LixCoO2 and Crystalline LiPON/Li-Metal Interfaces

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Title: Kinetics-Controlled Degradation Reactions at Crystalline LiPON/Li_xCoO₂ and Crystalline LiPON/Li-Metal Interfaces