Concepedia

Internal electric fields in asymmetric single-layer lattices for enhancing photocatalytic solar-to-hydrogen efficiency

Yuliang Liu, Yongfeng Wan, Bo Li, Chuan‐Lu Yang, Xingshuai Lv, Ying Shi

Journal of Materials Chemistry A · 2023 · 19 citations · 52 references

DOI

Concepts

Abstract

MSi 2 N 3 Y monolayers are proposed as a promising candidate for overall water splitting with high solar-to-hydrogen efficiency.

References

52

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

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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

, , +14

A consistent and accurate<i>ab initio</i>parametrization of density functional dispersion correction (DFT-D) for the 94 elements H-Pu

Stefan Grimme, Jens Antony, Stephan Ehrlich et al. · The Journal of Chemical Physics · 2010 · 56.9K citations

, , +14

Electrochemical Photolysis of Water at a Semiconductor Electrode

Akira Fujishima, Kenichi Honda · Nature · 1972 · 33.7K citations

, , +14