Concepedia

Optimizing d-orbital occupation on interfacial transition metal sites via heterogeneous interface engineering to accelerate oxygen electrode reaction kinetics in lithium-oxygen batteries

Guilei Tian, Haoyang Xu, Xinxiang Wang, Xiaojuan Wen, Ting Zeng, Sheng Liu, Fengxia Fan, Wei Xiang, Chaozhu Shu

Nano Energy · 2023 · 65 citations · 56 references

References

56

Generalized Gradient Approximation Made Simple

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

Natural Sciences, Chemistry, Physics +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

Natural Sciences, Chemistry, Computational Chemistry +15

Projector augmented-wave method

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

Natural Sciences, Chemistry, Physics +17

A Perovskite Oxide Optimized for Oxygen Evolution Catalysis from Molecular Orbital Principles

Jin Suntivich, Kevin J. May, Hubert A. Gasteiger et al. · Science · 2011 · 5.3K citations

Natural Sciences, Chemistry, Materials Science +17

Why gold is the noblest of all the metals

Bjørk Hammer · Nature · 1995 · 3.8K citations

Natural Sciences, Chemistry, Materials Science +6