Concepedia

Adsorption and diffusion of Pb(II) on the kaolinite(001) surface: A density-functional theory study

Manchao He, Jian Zhao, Shuangxi Wang

Applied Clay Science · 2013 · 29 citations · 23 references

DOI

Concepts

References

23

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

Adsorption of Pb(II), Cd(II), Ni(II) and Cu(II) onto natural kaolinite clay

Ming Jiang, Xiao-ying Jin, Xiao-Qiao Lu et al. · Desalination · 2009 · 627 citations

, , +12