Concepedia

The role of magnetite/graphene oxide nano-composite as a high-efficiency adsorbent for removal of phenazopyridine residues from water samples, an experimental/theoretical investigation

Hassan Karimi‐Maleh, Marjan Shafieizadeh, Mohammad Ali Taher, Francis Opoku, Ephraim Muriithi Kiarii, Poomani Penny Govender, Sara Ranjbari, Morteza Rezapour, Yasin Orooji

Journal of Molecular Liquids · 2019 · 391 citations · 48 references

Concepts

Chemical EngineeringPhenazopyridine ResiduesEngineeringCarbon-based MaterialPorous CarbonWater SamplesEnvironmental RemediationWater PurificationGrapheneWater TreatmentChemisorptionActivated CarbonAdsorptionChemistryHigh-efficiency AdsorbentWastewater Treatment

References

48

Generalized Gradient Approximation Made Simple

John P. Perdew, Kieron Burke, Matthias Ernzerhof · Physical Review Letters · 1996 · 203.9K citations · Full text

Numerical Analysis, Engineering, Machine Learning +19

Special points for Brillouin-zone integrations

Hendrik J. Monkhorst, J.D. Pack · Physical review. B, Solid state · 1976 · 68.3K citations

Numerical Analysis, Spectral Theory, Wave Vector +19

Semiempirical GGA‐type density functional constructed with a long‐range dispersion correction

Stefan Grimme · Journal of Computational Chemistry · 2006 · 29.9K citations

Materials Science, New Density Functional, Chemical Engineering +14

Soft self-consistent pseudopotentials in a generalized eigenvalue formalism

David Vanderbilt · Physical review. B, Condensed matter · 1990 · 22.6K citations

Engineering, First-principles Pseudopotentials, Functional Analysis +19

First-principles simulation: ideas, illustrations and the CASTEP code

Matthew Segall, Philip J. D. Lindan, Matt Probert et al. · Journal of Physics Condensed Matter · 2002 · 11.6K citations · Full text

Engineering, Material Simulation, Simulation +22