Concepedia

The pivotal role of oxygen vacancy and surface hydroxyl in the adsorption and activation of CO2 on ceria-zirconia mixed oxide

Priyanshu Pratap Singh, P Athira, Shweta Kamaliny, Koustuv Ray, Siddhartha Sengupta

Molecular Catalysis · 2024 · 20 citations · 56 references

DOI

Concepts

References

56

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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Special points for Brillouin-zone integrations

Hendrik J. Monkhorst, J.D. Pack · Physical review. B, Solid state · 1976 · 70.3K citations

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Physisorption of gases, with special reference to the evaluation of surface area and pore size distribution (IUPAC Technical Report)

Matthias Thommes, Katsumi Kaneko, Alexander V. Neimark et al. · Pure and Applied Chemistry · 2015 · 19.8K citations

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Restoring the Density-Gradient Expansion for Exchange in Solids and Surfaces

John P. Perdew, Adrienn Ruzsinszky, Gábor I. Csonka et al. · Physical Review Letters · 2008 · 11.7K citations · Full text

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From molecules to solids with the DMol3 approach

B. Delley · The Journal of Chemical Physics · 2000 · 10.9K citations · Full text

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