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Thermodynamic Assessment of Coating Materials for Solid-State Li, Na, and K Batteries.
ACS Appl Mater Interfaces. 2019 Oct 09; 11(40):36607-36615.AA

Abstract

The development of all-solid-state batteries (ASSBs) presents a pathway to enhance the energy density and safety of conventional Li-ion batteries that use liquid electrolytes. However, one of the more promising categories of solid electrolytes (SEs), sulfides, are generally unstable in contact with common electrode materials, resulting in SE decomposition and high interfacial resistance. Recent studies have indicated that the application of coatings can, in some cases, stabilize the electrode/SE interface, reducing the likelihood for harmful interfacial reactions. Here, stable coatings for Li, Na, and K ASSBs are identified. In total, the stability windows for 1112 ternary alkali-metal-based compounds were assessed, including fluorides, chlorides, oxides, sulfides, phosphides, and nitrides. In general, the fluorides and chlorides exhibit the highest oxidative stability, suggesting that they are good choices for stabilizing SE/cathode interfaces. In contrast, sulfides, phosphides, and nitrides exhibit much lower oxidative stabilities, with many of these materials predicted to decompose above 2 V. At the anode/SE interface, nitrides and oxides are predicted to be the most effective coatings, as they are generally the most stable against reductive decomposition. As expected, sulfides and phosphides are the least stable class of materials under reducing conditions. Overall, oxides appear to be the most versatile class of coating materials: several oxides are predicted to exhibit stability windows ranging from 0 to 3 V with respect to Li/Li+, Na/Na+, or K/K+. Examples of promising oxides for stabilizing the SE/anode interface include Li5AlO4, Li4SiO4, NaAlO2, Na3PO4, KAlO2, and K3PO4. Similarly, promising compounds for stabilizing the SE/cathode interface include NaPO3 and KPO3. Finally, the possibility for kinetic stabilization suggests that additional ternary oxides (e.g., based on Ga, Nb, Sb, and Ta) may be viable coatings at the SE/cathode interface.

Authors+Show Affiliations

Center for Energy Storage Research , Korea Institute of Science and Technology (KIST) , 5, Hwarang-ro 14-gil , Seongbuk-gu, Seoul 02792 , Republic of Korea.No affiliation info availableNo affiliation info available

Pub Type(s)

Journal Article

Language

eng

PubMed ID

31522493

Citation

Yu, Seungho, et al. "Thermodynamic Assessment of Coating Materials for Solid-State Li, Na, and K Batteries." ACS Applied Materials & Interfaces, vol. 11, no. 40, 2019, pp. 36607-36615.
Yu S, Park H, Siegel DJ. Thermodynamic Assessment of Coating Materials for Solid-State Li, Na, and K Batteries. ACS Appl Mater Interfaces. 2019;11(40):36607-36615.
Yu, S., Park, H., & Siegel, D. J. (2019). Thermodynamic Assessment of Coating Materials for Solid-State Li, Na, and K Batteries. ACS Applied Materials & Interfaces, 11(40), 36607-36615. https://doi.org/10.1021/acsami.9b11001
Yu S, Park H, Siegel DJ. Thermodynamic Assessment of Coating Materials for Solid-State Li, Na, and K Batteries. ACS Appl Mater Interfaces. 2019 Oct 9;11(40):36607-36615. PubMed PMID: 31522493.
* Article titles in AMA citation format should be in sentence-case
TY - JOUR T1 - Thermodynamic Assessment of Coating Materials for Solid-State Li, Na, and K Batteries. AU - Yu,Seungho, AU - Park,Haesun, AU - Siegel,Donald J, Y1 - 2019/09/30/ PY - 2019/9/17/pubmed PY - 2019/9/17/medline PY - 2019/9/17/entrez KW - batteries KW - coating materials KW - energy storage KW - high-throughput screening KW - solid electrolytes SP - 36607 EP - 36615 JF - ACS applied materials & interfaces JO - ACS Appl Mater Interfaces VL - 11 IS - 40 N2 - The development of all-solid-state batteries (ASSBs) presents a pathway to enhance the energy density and safety of conventional Li-ion batteries that use liquid electrolytes. However, one of the more promising categories of solid electrolytes (SEs), sulfides, are generally unstable in contact with common electrode materials, resulting in SE decomposition and high interfacial resistance. Recent studies have indicated that the application of coatings can, in some cases, stabilize the electrode/SE interface, reducing the likelihood for harmful interfacial reactions. Here, stable coatings for Li, Na, and K ASSBs are identified. In total, the stability windows for 1112 ternary alkali-metal-based compounds were assessed, including fluorides, chlorides, oxides, sulfides, phosphides, and nitrides. In general, the fluorides and chlorides exhibit the highest oxidative stability, suggesting that they are good choices for stabilizing SE/cathode interfaces. In contrast, sulfides, phosphides, and nitrides exhibit much lower oxidative stabilities, with many of these materials predicted to decompose above 2 V. At the anode/SE interface, nitrides and oxides are predicted to be the most effective coatings, as they are generally the most stable against reductive decomposition. As expected, sulfides and phosphides are the least stable class of materials under reducing conditions. Overall, oxides appear to be the most versatile class of coating materials: several oxides are predicted to exhibit stability windows ranging from 0 to 3 V with respect to Li/Li+, Na/Na+, or K/K+. Examples of promising oxides for stabilizing the SE/anode interface include Li5AlO4, Li4SiO4, NaAlO2, Na3PO4, KAlO2, and K3PO4. Similarly, promising compounds for stabilizing the SE/cathode interface include NaPO3 and KPO3. Finally, the possibility for kinetic stabilization suggests that additional ternary oxides (e.g., based on Ga, Nb, Sb, and Ta) may be viable coatings at the SE/cathode interface. SN - 1944-8252 UR - https://www.unboundmedicine.com/medline/citation/31522493/Thermodynamic_Assessment_of_Coating_Materials_for_Solid_State_Li_Na_and_K_Batteries_ L2 - https://doi.org/10.1021/acsami.9b11001 DB - PRIME DP - Unbound Medicine ER -
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