Concepedia

Built-in electric field boosted exciton dissociation in sulfur doped BiOCl with abundant oxygen vacancies for transforming the pathway of molecular oxygen activation

Chenyu Zhang, Yaocheng Deng, Qiongfang Wan, Hao Zeng, Hou Wang, Hanbo Yu, Haoliang Pang, Wei Zhang, Xingzhong Yuan, Jinhui Huang

Applied Catalysis B: Environmental · 2023 · 110 citations · 78 references

DOI

Concepts

References

78

Generalized Gradient Approximation Made Simple

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

, , +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

, , +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

, , +14

Special points for Brillouin-zone integrations

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

, , +6

Atomic Radii in Crystals

J. C. Slater · The Journal of Chemical Physics · 1964 · 2.3K citations

, , +8