Concepedia

Synergistic effect of size-dependent PtZn nanoparticles and zinc single-atom sites for electrochemical ozone production in neutral media

Bowen Yuan, Zihao Yao, Chenlong Qiu, Haiyang Zheng, Yi‐Long Yan, Qiaoqiao Zhang, Xiang Sun, Yu Gu, Xing Zhong, Jianguo Wang

Journal of Energy Chemistry · 2020 · 56 citations · 46 references

DOI

Concepts

References

46

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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From ultrasoft pseudopotentials to the projector augmented-wave method

Georg Kresse, Daniel P. Joubert · Physical review. B, Condensed matter · 1999 · 83.6K 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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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

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Effect of the damping function in dispersion corrected density functional theory

Stefan Grimme, Stephan Ehrlich, Lars Goerigk · Journal of Computational Chemistry · 2011 · 27.1K citations

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