Concepedia

Adsorption of anti-inflammatory nimesulide by graphene materials: a combined theoretical and experimental study

Iuri Medeiros Jauris, Carolina Ferreira de Matos, Aldo J. G. Zarbin, Cibele S. Umpierres, Caroline Saucier, Éder C. Lima, Solange Binotto Fagan, Ivana Zanella, Fernando Machado Machado

Physical Chemistry Chemical Physics · 2017 · 46 citations · 40 references

DOI

Concepts

Abstract

at 25 °C. Our results of the first principle calculations and the batch adsorption experiments point out that graphene materials are promising nanomaterials for extracting NM from aqueous solutions.

References

40

Self-Consistent Equations Including Exchange and Correlation Effects

W. Kohn, L. J. Sham · Physical Review · 1965 · 63.2K citations · Full text

, , +15

THE ADSORPTION OF GASES ON PLANE SURFACES OF GLASS, MICA AND PLATINUM.

Irving Langmuir · Journal of the American Chemical Society · 1918 · 22.8K citations

, , +16

Self-interaction correction to density-functional approximations for many-electron systems

John P. Perdew, Alex Zunger · Physical review. B, Condensed matter · 1981 · 20.8K citations · Full text

, , +16

Efficient pseudopotentials for plane-wave calculations

N. Troullier, José Luı́s Martins · Physical review. B, Condensed matter · 1991 · 16.1K citations

, , +14

The SIESTA method for<i>ab initio</i>order-<i>N</i>materials simulation

José M. Soler, Emilio Artacho, Julian D. Gale et al. · Journal of Physics Condensed Matter · 2002 · 11.8K citations · Full text

, , +17