Concepedia

Understanding electrochemical and structural properties of copper hexacyanoferrate: Application in hydrogen peroxide analysis

Sukanya Jankhunthod, Chochanon Moonla, Athis Watwiangkham, Suwit Suthirakun, Theeranun Siritanon, Suttipong Wannapaiboon, Kamonwad Ngamchuea

Electrochimica Acta · 2021 · 13 citations · 50 references

DOI

Concepts

References

50

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

, , +15

Projector augmented-wave method

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

, , +17

From ultrasoft pseudopotentials to the projector augmented-wave method

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

, , +17

Special points for Brillouin-zone integrations

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

, , +6

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

, , +14