Concepedia

Structural construction and regulation of PCN-222(M) (M = H2, Ni, Mn, Pd)/g-C3N4-AA heterojunctions: A strategy for optimizing photocatalytic water splitting to enhance hydrogen production

Yaxin Li, Wei Qin, Xinyang Li, Qi Zhu, Fu‐Quan Bai, Tao Tian

Chemical Engineering Journal · 2025 · 10 citations · 48 references

DOI

Concepts

References

48

Generalized Gradient Approximation Made Simple

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

, , +16

Projector augmented-wave method

Peter E. Blöchl · Physical review. B, Condensed matter · 1994 · 90.8K 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

<i>Ab initio</i>molecular dynamics for liquid metals

Georg Kresse, J. Häfner · Physical review. B, Condensed matter · 1993 · 44.9K citations

, , +17

Multiwfn: A multifunctional wavefunction analyzer

Tian Lu, Feiwu Chen · Journal of Computational Chemistry · 2011 · 43K citations

, , +15