The DOI matches its Crossref record; 4 of the 4 references it cites were found in a registry or an index.
High-throughput computational design of cathode coatings for Li-ion batteries
Open accessAbstract
Cathode degradation is a key factor that limits the lifetime of Li-ion batteries. To identify functional coatings that can suppress this degradation, we present a high-throughput density functional theory based framework which consists of reaction models that describe thermodynamic and electrochemical stabilities, and acid-scavenging capabilities of materials. Screening more than 130,000 oxygen-bearing materials, we suggest physical and hydrofluoric-acid barrier coatings such as WO 3, LiAl 5 O 8 and ZrP 2 O 7 and hydrofluoric-acid scavengers such as Sc 2 O 3, Li 2 CaGeO 4, LiBO 2, Li 3 NbO 4, Mg 3(BO 3)2 and Li 2 MgSiO 4. Using a design strategy to find the thermodynamically optimal coatings for a cathode, we further present optimal hydrofluoric-acid scavengers such as Li 2 SrSiO 4, Li 2 CaSiO 4 and CaIn 2 O 4 for the layered LiCoO 2, and Li 2 GeO 3, Li 4 NiTeO 6 and Li 2 MnO 3 for the spinel LiMn 2 O 4 cathodes. These coating materials have the potential to prolong the cycle-life of Li-ion batteries and surpass the performance of common coatings based on conventional materials such as Al 2 O 3, ZnO, MgO or ZrO 2.
Overview
The claims and statistics of this paper haven’t been checked yet.
Run the check — free, no account needed. It reads the open-access text and checks the sources it cites.
Integrity signals
Registry
Cites
Statistics
Verification
Claims the paper makes
The claims and statistics of this paper haven’t been checked yet.
Run the check — free, no account needed. It reads the open-access text and checks the sources it cites.
Self-check
Percentages, sums and reported differences re-computed from the paper’s own numbers.
The self-check needs the paper’s full text.
Citations
Cites
Commentary: The Materials Project: A materials genome approach to accelerating materials innovation
Jain, A., Ong, S. P., Hautier, G., Chen, W., Richards, W. D., Dacek, S., Cholia, S., Gunter, D., Skinner, D., Ceder, G., et al. (2013) · APL Materials · doi:10.1063/1.4812323 · Cited by 13,094
Ageing mechanisms in lithium-ion batteries
Vetter, J., Novák, P., Wagner, M. R., Veit, C., Möller, K.-C., Besenhard, J. O., Winter, M., Wohlfahrt-Mehrens, M., Vogler, C., & Hammouche, A. (2005) · Journal of Power Sources · doi:10.1016/j.jpowsour.2005.01.006 · Cited by 3,987
Thackeray, M. M., Wolverton, C., & Isaacs, E. D. (2012) · Energy & Environmental Science · doi:10.1039/c2ee21892e · Cited by 2,515
Self-citationThe high-throughput highway to computational materials design
Curtarolo, S., Hart, G. L. W., Nardelli, M. B., Mingo, N., Sanvito, S., & Levy, O. (2013) · Nature Materials · doi:10.1038/nmat3568 · Cited by 2,053
Cited by
Data-driven prediction of battery cycle life before capacity degradation
Severson, K. A., Attia, P. M., Jin, N., Perkins, N., Jiang, B., Yang, Z., Chen, M. H., Aykol, M., Herring, P. K., Fraggedakis, D., et al. (2019) · Nature Energy · doi:10.1038/s41560-019-0356-8 · Cited by 3,228
Self-citationReview on modeling of the anode solid electrolyte interphase (SEI) for lithium-ion batteries
Wang, A., Kadam, S., Li, H., Shi, S., & Qi, Y. (2018) · npj Computational Materials · doi:10.1038/s41524-018-0064-0 · Cited by 1,639
An Overview on the Advances of LiCoO2 Cathodes for Lithium‐Ion Batteries
Lyu, Y., Wu, X., Wang, K., Feng, Z., Cheng, T., Liu, Y., Wang, M., Chen, R., Xu, L., Zhou, J., et al. (2021) · Advanced Energy Materials · doi:10.1002/aenm.202000982 · Cited by 890
Computational Screening of Cathode Coatings for Solid-State Batteries
Xiao, Y., Miara, L. J., Wang, Y., & Ceder, G. (2019) · Joule · doi:10.1016/j.joule.2019.02.006 · Cited by 451
Recent advances in gel polymer electrolyte for high-performance lithium batteries
Zhu, M., Wu, J., Wang, Y., Song, M., Long, L., Siyal, S. H., Yang, X., & Sui, G. (2019) · Journal of Energy Chemistry · doi:10.1016/j.jechem.2018.12.013 · Cited by 353
Metadata
- Authors
- Aykol, M., Kim, S., Hegde, V. I., Snydacker, D., Lu, Z., Hao, S., Kirklin, S., Morgan, D., & Wolverton, C.
- Venue
- Nature Communications
- Published
- 2016-12-14
- Volume
- 7
- Issue
- 1
- Pages
- 13779-13779
- ISSN
- 2041-1723 (ISSN-L)
- OpenAlex
- W2567220974
- Cited by
- 215
- References
- 4
- FWCI
- 10.52
- Type
- journal article
- Language
- en
- Open access
- gold
About these checks
Registry, retraction, Cites and statistics results are computed, not judged, with one exception: a printed reference that no index lists is read once by a model before it counts as a citation error. Claims are extracted by a model and kept only when their quote appears verbatim in the text; each cited source is then checked, with a model’s help, for whether it says what the claim relies on. Those verdicts can be wrong — read the claim’s quote and the cited source before relying on one.
Statistics and arithmetic are recomputed, not judged.
Confidence bands are shown only for fields calibrated on our annotated test set. None is calibrated yet, so no band is shown.
What counts as a claim ›How we measure confidence ›How we check this ›
Are you an author, or do you see a problem with this page? Request a review
How to cite
Cite CoChat for the checks on this page, and the paper for its own findings.
- This page
- CoChat. (2026). Citation check: High-throughput computational design of cathode coatings for Li-ion batteries. https://app.cochat.ai/papers/10.1038/ncomms13779
- The paper
- Aykol, M., Kim, S., Hegde, V. I., Snydacker, D., Lu, Z., Hao, S., Kirklin, S., Morgan, D., & Wolverton, C. (2016). High-throughput computational design of cathode coatings for Li-ion batteries. Nature Communications. https://doi.org/10.1038/ncomms13779
Data sources
Bibliographic data: Semantic Scholar, OpenAlex, Crossref.
Contains information from the Semantic Scholar Academic Graph Datasets, made available under the ODC Attribution License (ODC-BY 1.0).
Semantic Scholar’s data is described in: Kinney, R., et al. (2023). The Semantic Scholar Open Data Platform. arXiv:2301.10140.
