Concepedia

Transition metal-doped Fe₂Te₂ as efficient hydrogen evolution catalysts: A DFT study

Hui Xiong, Yu Jin, Xuefei Liu, Teng Ma, Mingqiang Liu, Wenjun Xiao, Xiangyu Wu, Jiajin Ge, Abuduwayiti Aierken, Gang Wang,

International Journal of Hydrogen Energy · 2025 · 11 citations · 38 references

DOI

Concepts

References

38

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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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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Economics of converting renewable power to hydrogen

Gunther Glenk, Stefan Reichelstein · Nature Energy · 2019 · 1.3K citations

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2D MXenes: A New Family of Promising Catalysts for the Hydrogen Evolution Reaction

Guoping Gao, Anthony P. O’Mullane, Aijun Du · ACS Catalysis · 2016 · 1.1K citations · Full text

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