Concepedia

Exploiting the trade-offs of electron transfer in MOF-derived single Zn/Co atomic couples for performance-enhanced zinc-air battery

Kexin Song, Feng Yu, Xinyan Zhou, Tingting Qin, Xu Zou, Yugang Qi, Zhongjun Chen, Jiancun Rao, Zizhun Wang, Nailin Yue,

Applied Catalysis B: Environmental · 2022 · 99 citations · 61 references

DOI

Concepts

References

61

Generalized Gradient Approximation Made Simple

John P. Perdew, Kieron Burke, Matthias Ernzerhof · Physical Review Letters · 1996 · 211.5K citations · Full text

, , +16

Efficient iterative schemes for<i>ab initio</i>total-energy calculations using a plane-wave basis set

Georg Kresse, J. Furthmüller · Physical review. B, Condensed matter · 1996 · 120.5K citations

, , +15

Projector augmented-wave method

Peter E. Blöchl · Physical review. B, Condensed matter · 1994 · 90.8K citations

, , +17

Special points for Brillouin-zone integrations

Hendrik J. Monkhorst, J.D. Pack · Physical review. B, Solid state · 1976 · 70.3K citations

, , +6

Self-Consistent Equations Including Exchange and Correlation Effects

W. Kohn, L. J. Sham · Physical Review · 1965 · 63.2K citations · Full text

, , +15