Concepedia

Modulation of sulfur vacancies at ZnIn2S4-δ/g-C3N4 heterojunction interface for successive C-H secession in photocatalytic gaseous formaldehyde complete oxidation

Xinwei Li, Yu Huang, Wingkei Ho, Shuwen Han, Pengge Wang, Zhuozhi Zhang

Applied Catalysis B: Environmental · 2023 · 48 citations · 66 references

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66

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

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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

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Semiempirical GGA‐type density functional constructed with a long‐range dispersion correction

Stefan Grimme · Journal of Computational Chemistry · 2006 · 30.8K citations

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S-Scheme Heterojunction Photocatalyst

Quanlong Xu, Liuyang Zhang, Bei Cheng et al. · Chem · 2020 · 3.7K citations · Full text