Student or educator? Sign up with your school email and get 6 months of Pro free.
CoChat
Sign Up
Cited by 309

The DOI matches its Crossref record; 50 of the 50 references it cites were found in a registry or an index.

Origin of Structural Degradation During Cycling and Low Thermal Stability of Ni-Rich Layered Transition Metal-Based Electrode Materials

Dixit, Mudit, Markovsky, Boris, Schipper, Florian, Aurbach, Doron, Major, Dan T.·2017·The Journal of Physical Chemistry C
DOI 10.1021/acs.jpcc.7b06122
Open this paper in CoChat — free account

Abstract

Ni-rich lithiated layered oxides composed of Ni, Co, and Mn (NCMs) have shown tremendous promise as cathode materials in lithium-ion batteries (LIB) for electro-mobility applications. The capacity of these materials increases with nickel content, but there is a concomitant decrease in stability and stable operating voltage during cycling. Hence, it is of great importance to probe ways to increase the nickel content without sacrificing other important aspects. In this study, we performed a detailed comparative theoretical study of Ni-rich NCMs to advance our understanding of the cycling and thermal stability. On the basis of extensive analysis of density of states, magnetic structure, bond covalency, molecular orbital diagrams, Bader atomic charges, and oxygen binding energies, we draw several crucial conclusions: as the NCM materials become increasingly rich in Ni, (1) the amount of high-valence Ni-ions increases (i.e., N 3+, Ni 4+ ), (2) Ni 4+ ions are readily reduced due to a low-lying LUMO, and hence can easily react with electrolyte species, (3) Ni 4+ -O bonds become increasingly covalent, and (4) molecular oxygen release becomes more feasible and, hence, may result in cathode degradation. Importantly, these conclusions are found to be appropriate also for the deintercalation process for all NCM materials and therefore also explain cycling behavior. On the basis of the current results, we suggest that a strategy of doping NCMs with high-valent cations, which suppresses Ni-ions in high oxidation states via charge compensation, should be adopted. These results will be beneficial for understanding and designing high capacity LIB cathodes for electric vehicles.

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.

A few free checks a day · papers already verified open instantly · results are public

Integrity signals

Registry

Crossref · 10.1021/acs.jpcc.7b06122

Cites

50 of 50 references verified0 citation errors · 0 not checkable

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.

A few free checks a day · papers already verified open instantly · results are public

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

Cited by

See all 309

Metadata

Authors
Dixit, M., Markovsky, B., Schipper, F., Aurbach, D., & Major, D. T.
Venue
The Journal of Physical Chemistry C
Publisher
American Chemical Society (ACS)
Published
2017-10-06
Volume
121
Issue
41
Pages
22628-22636
ISSN
  • 1932-7447 (ISSN-L)
  • 1932-7455
DOI
10.1021/acs.jpcc.7b06122
OpenAlex
W2760711712
Cited by
309
References
50
FWCI
8.28
Type
journal article
Language
en
Open access
closed

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

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.