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Pore size analysis of carbons with heterogeneous kernels from reactive molecular dynamics model and quenched solid density functional theory

Sebastião M. P. Lucena, José Carlos Alexandre de Oliveira, Daniel V. Gonçalves, Pedro F.G. Silvino, Silvio Dantas, Alexander V. Neimark

2021Carbon23 citationsDOI

Topics & Concepts

AdsorptionMolecular dynamicsGrapheneCarbon fibersDensity functional theoryHomogeneousChemical physicsMaterials scienceChemistryChemical engineeringThermodynamicsPhysical chemistryNanotechnologyComputational chemistryComposite materialPhysicsComposite numberEngineeringGraphene research and applicationsCatalytic Processes in Materials ScienceMetal-Organic Frameworks: Synthesis and Applications
Pore size analysis of carbons with heterogeneous kernels from reactive molecular dynamics model and quenched solid density functional theory | Litcius