Concepedia

Multistage charge redistribution constructing heterostructured WO3@RuSe2 on Si for enhanced photoelectrochemical hydrogen evolution

Fan Zhang, Xuegong Yu, Yang Qian, Lingshu Qiu, Yanghong Xia, Yuxin Yao, Yi He, Lecheng Lei, Shaoyun Hao, Xingwang Zhang

Chemical Engineering Journal · 2022 · 24 citations · 58 references

DOI

Concepts

References

58

Generalized Gradient Approximation Made Simple

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

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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

From ultrasoft pseudopotentials to the projector augmented-wave method

Georg Kresse, Daniel P. Joubert · Physical review. B, Condensed matter · 1999 · 83.6K citations

, , +17

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

, , +14

Special points for Brillouin-zone integrations

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

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