Concepedia

First-principles calculations on performance of the g-C3N4/LNS-TiO2(Cr+C) heterojunction photocatalyst in water splitting process

Houmei Dai, Xiaolin Cai, Xin Li, Chong Wang, Yanglai Hou, Ran Wei

International Journal of Hydrogen Energy · 2023 · 11 citations · 27 references

Concepts

Natural SciencesChemistryMaterials ScienceCatalysisComputational ChemistryInorganic ChemistryCatalytic MechanismsPhotocatalysisPhotochemistryPhotoelectrochemical MaterialsPhotoelectrochemistryFirst-principles ModelingPhotocatalytic MaterialsPhotocatalytic Water SplittingTitanium Dioxide PhotocatalysisWater SplittingWater Splitting CatalysisWater-splitting Catalysts

References

27

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

From ultrasoft pseudopotentials to the projector augmented-wave method

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

Natural Sciences, Chemistry, Physics +17

Electrochemical Photolysis of Water at a Semiconductor Electrode

Akira Fujishima, Kenichi Honda · Nature · 1972 · 33.7K citations

Natural Sciences, Chemical Engineering, Chemistry +14