Concepedia

Multi-dimensional decoupling local electron spin and inner Helmholtz layer roles in MoS2/MoSe2 superlattice photocatalysts

Guoliang Zhu, Jagadeesh Suriyaprakash, Guangri Chen, Dapeng Hong, Jiajun Gu, Yanyang Zhang, Lianwei Shan, Huanyan Xu, Haitao Wu, Limin Dong,

Chemical Engineering Journal · 2025 · 24 citations · 67 references

DOI

Concepts

References

67

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

<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

Canonical dynamics: Equilibrium phase-space distributions

William G. Hoover · Physical review. A, General physics · 1985 · 23.3K citations

, , +14