Concepedia

Catalytic CO2 reduction by palladium-decorated silicon–hydride nanosheets

Chenxi Qian, Wei Sun, Darius L. H. Hung, Chenyue Qiu, Meysam Makaremi, Sai Govind Hari Kumar, Lili Wan, Mireille Ghoussoub, Thomas E. Wood, Meikun Xia,

Nature Catalysis · 2018 · 157 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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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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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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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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Improved Description of the Structure of Molecular and Layered Crystals: Ab Initio DFT Calculations with van der Waals Corrections

Tomáš Bučko, Jürgen Häfner, Sébastien Lebègue∥ et al. · The Journal of Physical Chemistry A · 2010 · 1.1K citations

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