Concepedia

Enhanced photocatalytic efficiency by direct photoexcited electron transfer from pollutants adsorbed on the surface valence band of BiOBr modified with graphitized C

Yang Jin, Zhicong Lu, Peng Zhang, Fan Li, Tong Li, Lili Zhang, Wenhong Fan, Chun Hu

Journal of Hazardous Materials · 2021 · 46 citations · 40 references

DOI

Concepts

References

40

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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From molecules to solids with the DMol3 approach

B. Delley · The Journal of Chemical Physics · 2000 · 10.9K citations · Full text

, , +12

An all-electron numerical method for solving the local density functional for polyatomic molecules

B. Delley · The Journal of Chemical Physics · 1990 · 10.5K citations · Full text

, , +15

Accurate Molecular Van Der Waals Interactions from Ground-State Electron Density and Free-Atom Reference Data

Alexandre Tkatchenko, Matthias Scheffler · Physical Review Letters · 2009 · 6.3K citations · Full text

, , +17

A technique for relativistic spin-polarised calculations

D. D. Koelling, B. N. Harmon · Journal of Physics C Solid State Physics · 1977 · 2.4K citations

, , +15