2023
DOI: 10.1039/d3cp01201h
|View full text |Cite
|
Sign up to set email alerts
|

First-principles design of nanostructured electrode materials for Na-ion batteries: challenges and perspectives

Abstract: Post-lithium batteries are emerging as viable solutions towards the sustainable energy transition. The effective deployment in the market calls for great research efforts in the identification of novel component materials...

Help me understand this report

Search citation statements

Order By: Relevance

Paper Sections

Select...
4

Citation Types

0
4
0

Year Published

2024
2024
2024
2024

Publication Types

Select...
6

Relationship

2
4

Authors

Journals

citations
Cited by 8 publications
(4 citation statements)
references
References 154 publications
0
4
0
Order By: Relevance
“…In this work, we aim to dissect the structural and electronic changes affecting the P2-Na x MnO 2 lattice along the charge and discharge processes. Applying a well-established approach that was previously adopted for similar LIBs and NIBs cathodes, 44 we model different sodium compositions of P2-Na x MnO 2 to reproduce the operating range (0.3 < x Na < 0.7) characteristic of a P2-material. 37 We initiated the modeling at x Na = 0.72, consistently removing 4 sodium atoms for each subsequent simulation.…”
Section: ■ Introductionmentioning
confidence: 99%
See 1 more Smart Citation
“…In this work, we aim to dissect the structural and electronic changes affecting the P2-Na x MnO 2 lattice along the charge and discharge processes. Applying a well-established approach that was previously adopted for similar LIBs and NIBs cathodes, 44 we model different sodium compositions of P2-Na x MnO 2 to reproduce the operating range (0.3 < x Na < 0.7) characteristic of a P2-material. 37 We initiated the modeling at x Na = 0.72, consistently removing 4 sodium atoms for each subsequent simulation.…”
Section: ■ Introductionmentioning
confidence: 99%
“…In this work, we aim to dissect the structural and electronic changes affecting the P2-Na x MnO 2 lattice along the charge and discharge processes. Applying a well-established approach that was previously adopted for similar LIBs and NIBs cathodes, we model different sodium compositions of…”
Section: Introductionmentioning
confidence: 99%
“…Several key aspects still characterize this family of materials, including irreversible phase transformations during cycling, poor air stability, and complex charge-compensation mechanisms . Fundamental understanding of degradation behavior upon cycling and air exposure, correlating structure-performance relationships, and establishing general design strategies must be considered for their effective exploitation in commercial NIBs . Recent progress in this field has highlighted critical factors that would balance the overall material efficiency .…”
Section: Introductionmentioning
confidence: 99%
“… 7 Fundamental understanding of degradation behavior upon cycling and air exposure, 8 correlating structure-performance relationships, and establishing general design strategies must be considered for their effective exploitation in commercial NIBs. 9 Recent progress in this field has highlighted critical factors that would balance the overall material efficiency. 10 General consensus exists on the key role of chemical composition at TM sites, where both ratio and nature of involved TM redox couples are known to sensibly affect the phase stability and structural retention during subsequent Na insertion/extraction from the layered lattice.…”
Section: Introductionmentioning
confidence: 99%