Concepedia

Interfacial electronic effects control the reaction selectivity of platinum catalysts

Guangxu Chen, Chaofa Xu, Xiaoqing Huang, Jinyu Ye, Lin Gu, Gang Li, Zichao Tang, Binghui Wu, Huayan Yang, Zipeng Zhao,

Nature Materials · 2016 · 701 citations · 47 references

Concepts

Natural SciencesChemistryMaterials ScienceElectrochemistryInterface ScienceSurface ScienceCatalytic MaterialsCatalytic Reaction EngineeringInterfacial ElectrochemistrySupported CatalystsSurface CatalysisSurface ReactivityCatalyst SelectivityCatalytic Reaction SelectivityCatalytic Selectivity ControlInterfacial Electronic StructureInterfacial Reaction MechanismsReaction SelectivitySelectivity Control In Catalysis

References

47

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 short history of<i>SHELX</i>

George M. Sheldrick · Acta Crystallographica Section A Foundations of Crystallography · 2007 · 87.4K citations · Full text

Natural Sciences, Biophysics, Chemistry +16

From ultrasoft pseudopotentials to the projector augmented-wave method

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

Natural Sciences, Chemistry, Physics +17