Metal–organic frameworks as O<sub>2</sub>-selective adsorbents for air separations
David E. Jaramillo, Adam Jaffe, Benjamin E. R. Snyder, Alex Smith, Eric Taw, Rachel C. Rohde, Matthew N. Dods, William DeSnoo, Katie R. Meihaus, T. David Harris, Jeffrey B. Neaton, Jeffrey R. Long
Abstract
values for operation under user-defined conditions. While enhancements are still needed in other material properties, the insights from the assessments herein serve as a guide for future materials design and evaluation. Computational approaches based on density functional theory with periodic boundary conditions are also discussed as complementary to experimental efforts, and new predictions enable identification of additional promising MOF systems for investigation.
Topics & Concepts
Metal-organic frameworkAdsorptionKey (lock)MetalPerspective (graphical)NanotechnologyProcess engineeringMaterials scienceBiochemical engineeringEnvironmental scienceEnvironmental chemistryComputer scienceChemistryOrganic chemistryEngineeringArtificial intelligenceComputer securityMetal-Organic Frameworks: Synthesis and ApplicationsCovalent Organic Framework ApplicationsGas Sensing Nanomaterials and Sensors