Concepedia

Identifying the intrinsic anti-site defect in manganese-rich NASICON-type cathodes

Yuan Liu, Xiaohui Rong, Rui Bai, Ruijuan Xiao, Chunliu Xu, Chu Zhang, Juping Xu, Wen Yin, Qinghua Zhang, Xinmiao Liang,

Nature Energy · 2023 · 159 citations · 31 references

Concepts

Natural SciencesMaterials EngineeringMaterials ScienceInorganic ChemistryMaterials ChemistryMaterials PhysicsCathode MaterialsDefects In Electronic MaterialsElectrode MaterialsX-ray Photoelectron SpectroscopyCathode Crystal StructureDefect Chemistry In Metal SulfidesManganese ChemistryManganese Oxides

References

31

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

Efficiency of ab-initio total energy calculations for metals and semiconductors using a plane-wave basis set

Georg Kresse, J. Furthmüller · Computational Materials Science · 1996 · 74.7K citations

Natural Sciences, Chemistry, Materials Science +14

Electron-energy-loss spectra and the structural stability of nickel oxide: An LSDA+U study

S. L. Dudarev, Gianluigi A. Botton, Sergey Y. Savrasov et al. · Physical review. B, Condensed matter · 1998 · 14.8K citations

Natural Sciences, Materials Science, Physics +17

Electrical Energy Storage for the Grid: A Battery of Choices

Bruce Dunn, Haresh Kamath, Jean‐Marie Tarascon · Science · 2011 · 14.7K citations

Engineering, Chemical Engineering, Electrical Engineering +17