Concepedia

Reunderstanding aqueous Zn electrochemistry from interfacial specific adsorption of solvation structures

Hang Yang, Duo Chen, Ruizheng Zhao, Gaoyang Li, Hao Xu, Li Li, Xin Liu, Guangshe Li, Dongliang Chao, Wei Han

Energy & Environmental Science · 2023 · 150 citations · 64 references

DOI

Concepts

Abstract

Reunderstanding the faradaic reaction mechanism at the electrode/electrolyte interface from the specific adsorption of solvation structures towards advanced aqueous Zn–Mn batteries.

References

64

Density-functional thermochemistry. III. The role of exact exchange

Axel D. Becke · The Journal of Chemical Physics · 1993 · 102.8K citations

, , +13

Development of the Colle-Salvetti correlation-energy formula into a functional of the electron density

Chengteh Lee, Weitao Yang, Robert G. Parr · Physical review. B, Condensed matter · 1988 · 100.1K citations

, , +17

Balanced basis sets of split valence, triple zeta valence and quadruple zeta valence quality for H to Rn: Design and assessment of accuracy

Florian Weigend, Reinhart Ahlrichs · Physical Chemistry Chemical Physics · 2005 · 29.9K citations

, , +15

LAMMPS - a flexible simulation tool for particle-based materials modeling at the atomic, meso, and continuum scales

Aidan P. Thompson, Hasan Metin Aktulga, Richard Berger et al. · Computer Physics Communications · 2021 · 11.5K citations · Full text

, , +16

Evaluation and Reparametrization of the OPLS-AA Force Field for Proteins via Comparison with Accurate Quantum Chemical Calculations on Peptides

George A. Kaminski, Richard A. Friesner, Julian Tirado‐Rives et al. · The Journal of Physical Chemistry B · 2001 · 4.1K citations

, , +17