Concepedia

Remarkably boosting ethanol upgrading to higher alcohols through cooperative catalysis of surface-interface multiple-active sites on nitrogen-doped carbon decorated copper-based catalysts

Liyuan Yuan, Ming Zhang, Guoli Fan, Feng Li

Applied Catalysis B: Environmental · 2023 · 41 citations · 73 references

References

73

Generalized Gradient Approximation Made Simple

John P. Perdew, Kieron Burke, Matthias Ernzerhof · Physical Review Letters · 1996 · 211.5K citations · Full text

Natural Sciences, Chemistry, Physics +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

Natural Sciences, Chemistry, Computational Chemistry +15

Projector augmented-wave method

Peter E. Blöchl · Physical review. B, Condensed matter · 1994 · 90.8K citations

Natural Sciences, Chemistry, Physics +17

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

Natural Sciences, Chemistry, Physics +14

Advanced analysis of copper X‐ray photoelectron spectra

Mark C. Biesinger · Surface and Interface Analysis · 2017 · 2K citations

Natural Sciences, Chemistry, Materials Science +17