Recent Progress in Computational Materials Science Boosting Development of Rechargeable Batteries

M Tian, Z Wang, HY Yang… - Advanced Energy Materials, 2025 - Wiley Online Library
Rechargeable batteries have been regarded as a truly transformative technology, providing
energy storage for portable electronics, power tools, and even electric vehicles …

Confining iodine into metal‐organic framework derived metal‐nitrogen‐carbon for long‐life aqueous zinc‐iodine batteries

X Guo, H Xu, Y Tang, Z Yang, F Dou, W Li… - Advanced …, 2024 - Wiley Online Library
Aqueous zinc–iodine batteries (AZIBs) are highly appealing for energy requirements owing
to their safety, cost‐effectiveness, and scalability. However, the inadequate redox kinetics …

Duodecuple H‐Bonded NH4+ Storage in Multi‐Redox‐Site N‐Heterocyclic Cathode for Six‐Electron Zinc–Organic Batteries

Y Zhang, Z Song, L Miao, Y Lv, L Gan… - Advanced Functional …, 2024 - Wiley Online Library
Designing multiple redox sites in electroactive organic cathodes that allow more electron
transfer is a permanent target for energy storage. Here, six‐electron zinc–organic batteries …

Constructing π–π Superposition Effect of Tetralithium Naphthalenetetracarboxylate with Electron Delocalization for Robust Dual‐Ion Batteries

Y Su, J Shang, X Liu, J Li, Q Pan… - Angewandte Chemie …, 2024 - Wiley Online Library
Organics are gaining significance as electrode materials due to their merits of multi‐electron
reaction sites, flexible rearrangeable structures and redox reversibility. However, organics …

Preparation and applications of Hydrogen-Bonded organic framework membranes

WH Deng, X Wang, K **ao, Y Li, C Liu, Z Yao… - Chemical Engineering …, 2024 - Elsevier
Hydrogen-bonded organic frameworks (HOFs) are intricately constructed with organic
components, utilizing flexible intermolecular interactions such as H-bonding, π–π stacking …

Multielectron Redox‐Bipolar Tetranitroporphyrin Macrocycle Cathode for High‐Performance Zinc‐Organic Batteries

Z Song, L Miao, H Duan, Y Lv, L Gan… - Angewandte …, 2024 - Wiley Online Library
Bipolar organics fuse the merits of n/p‐type redox reactions for better Zn‐organic batteries
(ZOBs), but face the capacity plafond due to low density of active units and single‐electron …

Enhanced Electron Delocalization Induced by Ferromagnetic Sulfur doped C3N4 Triggers Selective H2O2 Production

S Xu, Y Yu, X Zhang, D Xue, Y Wei… - Angewandte Chemie …, 2024 - Wiley Online Library
For the 2D metal‐free carbon catalysts, the atomic coplanar architecture enables a large
number of pz orbitals to overlap laterally, thus forming π‐electron delocalization, and the …

1D Insertion Chains Induced Small‐Polaron Collapse in MoS2 2D Layers Toward Fast‐Charging Sodium‐Ion Batteries

Z Lv, C Zhao, M **e, M Cai, B Peng, D Ren… - Advanced …, 2024 - Wiley Online Library
Molybdenum disulfide (MoS2) with high theoretical capacity is viewed as a promising anode
for sodium‐ion batteries but suffers from inferior rate capability owing to the polaron‐induced …

Tailor-made overstable 3D carbon superstructures towards efficient zinc-ion storage

C Hu, P Liu, Z Song, Y Lv, H Duan, L **e, L Miao… - Chinese Chemical …, 2025 - Elsevier
Designing carbon materials with ideal stable hierarchical porous structures and flexible
functional properties for efficient and sustainable Zn 2+ ion storage still faces great …

Regulating Intermolecular Hydrogen Bonds in Organic Cathode Materials to Realize Ultra‐stable, Flexible and Low‐temperature Aqueous Zinc‐organic Batteries

C Ding, Y Zhao, W Yin, F Kang, W Huang… - Angewandte …, 2024 - Wiley Online Library
Rational design of molecular structures is one of the effective strategies to obtain high‐
performance organic cathode materials. However, besides the optimization of single …