Concepedia

Optimized band gap and fast interlayer charge transfer in two-dimensional perovskite oxynitride Ba2NbO3N and Sr2NbO3/Ba2NbO3N bonded heterostructure visible-light photocatalysts for overall water splitting

Yu-lang Cen, Junjie Shi, Min Zhang, Meng Wu, Juan Du, Wenhui Guo, Yaohui Zhu

Journal of Colloid and Interface Science · 2019 · 31 citations · 83 references

Concepts

Materials ScienceChemical EngineeringEngineeringPerovskite Solar CellPhotochemistryApplied PhysicsOverall Water SplittingPhotocatalysisPhoto-electrochemical CellHeterostructure Visible-light PhotocatalystsLead-free PerovskitesPhotoelectrochemistryBand Gap

References

83

Generalized Gradient Approximation Made Simple

John P. Perdew, Kieron Burke, Matthias Ernzerhof · Physical Review Letters · 1996 · 203.9K citations · Full text

Numerical Analysis, Engineering, Machine Learning +19

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 · 116.1K citations

Numerical Analysis, Engineering, Computational Chemistry +17

Projector augmented-wave method

Peter E. Blöchl · Physical review. B, Condensed matter · 1994 · 87.4K citations

Engineering, Optic Design, Augmentation Procedure +19

From ultrasoft pseudopotentials to the projector augmented-wave method

Georg Kresse, Daniel P. Joubert · Physical review. B, Condensed matter · 1999 · 80.7K citations

Optical Materials, Engineering, Acoustic Metamaterial +18

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 · 72.1K citations

Semiconductors, Engineering, Physics +9