[HTML][HTML] Computational design of promising 2D electrode materials for Li-ion and Li–S battery applications

K Fan, YH Tsang, H Huang - Materials Reports: Energy, 2023 - Elsevier
Lithium-ion batteries (LIBs) and lithium-sulfur (Li–S) batteries are two types of energy
storage systems with significance in both scientific research and commercialization …

Recent progress and challenges in crystalline graphdiyne

X Liu, Y Zhao, J Du, D Wang - Science China Materials, 2024 - Springer
Graphynes (GYs), as a novel carbon allotrope, are composed of sp-and sp2-hybridized
carbon atoms. Among them, graphdiyne (GDY) is the most widely studied and has received …

Homonuclear transition-metal dimers embedded monolayer C2N as promising anchoring and electrocatalytic materials for lithium-sulfur battery: First-principles …

Y Pan, Y Zhu, Y Li, H Liu, Y Cong, Q Li, M Wu - Applied Surface Science, 2023 - Elsevier
The practical applications of lithium-sulfur (Li-S) batteries are greatly impeded by several
bottlenecks, such as the dissolution of lithium polysulfides (LiPSs) and the poor conversion …

Understanding the interactions between lithium polysulfides and anchoring materials in advanced lithium–sulfur batteries using density functional theory

T Maihom, J Sittiwong, M Probst… - Physical Chemistry …, 2022 - pubs.rsc.org
Lithium–sulfur batteries (LSBs) are promising energy storage devices because of their high
theoretical capacity and energy density. However, the “shuttle” effect in lithium polysulfides …

Recent advances in topological quantum anode materials for metal-ion batteries

MM Obeid, Q Sun - Journal of Power Sources, 2022 - Elsevier
Abstract The 2019 Nobel Prize in Chemistry and the 2016 Nobel Prize in Physics were
awarded for the research of lithium-ion batteries and topological quantum materials …

Borophosphene: A potential anchoring material for lithium-sulfur batteries

H Zhang, S Wang, Y Wang, B Huang, Y Dai… - Applied Surface …, 2021 - Elsevier
Lithium-sulfur (Lisingle bondS) batteries as a promising rechargeable battery have been a
focus in research community of electrochemistry. However, one of the dominant obstacles …

Advances in the density functional theory (DFT) calculation of lithium-sulfur battery cathodes

L Mao, Y Zou, R Yang, C Fan, X Dong, Y Yan… - Materials Today …, 2023 - Elsevier
Lithium-sulfur batteries are considered an extremely promising new generation of energy
storage systems due to their extremely high energy density. However, the practical …

Enhance the anchoring and catalytic performance of lithium-sulfur batteries for lithium polysulfide by predicted TiS2 monolayer

W Zhao, LC Xu, R Li, Y Guo, Z Yang, R Liu… - Materials Today …, 2022 - Elsevier
Abstract “Shuttle effect”, caused by dissolving lithium polysulfide in the electrolyte, is one of
the main reasons for the performance degradation of lithium-sulfur batteries. Here, we …

Heterokaryotic transition-metal dimers embedded monolayer g-C3N3 as promising anchoring and electrocatalytic materials for lithium-sulfur battery: First-principles …

W Dong, X Zhu, M Zhao, Q Chang, H Gu, F Yang… - Journal of …, 2024 - Elsevier
Abstract gC 3 N 3 not only has high content of pyridine nitrogen, but also has a special two-
dimensional porous structure, which is an ideal diatomic catalytic host materials. In this work …

Assembling Si 2 BN nanoribbons into a 3D porous structure as a universal anode material for both Li-and Na-ion batteries with high performance

U Younis, I Muhammad, W Wu, S Ahmed, Q Sun… - Nanoscale, 2020 - pubs.rsc.org
The development of anode materials is critical to the success of sodium ion batteries (SIBs).
Because of the size difference between Li and Na, the commercial anode material graphite …