Photocatalytic proton reduction by a computationally identified, molecular hydrogen-bonded framework
Catherine M. Aitchison, Christopher M. Kane, David P. McMahon, Peter R. Spackman, Angeles Pulido, Xiaoyan Wang, Liam Wilbraham, Linjiang Chen, Rob Clowes, Martijn A. Zwijnenburg, Reiner Sebastian Sprick, Marc A. Little, Graeme M. Day, Andrew I. Cooper
Abstract
A hydrogen-bonded organic framework is an effective photocatalyst for producing hydrogen from water. Its crystal structure is key to its activity; a chemically identical, amorphous version is almost inactive, as rationalized by crystal structure prediction.
Topics & Concepts
PhotocatalysisHydrogenAmorphous solidProtonCrystal structureHydrogen bondReduction (mathematics)Crystal (programming language)Materials sciencePhotochemistryMoleculeChemistryCrystallographyOrganic chemistryCatalysisPhysicsComputer scienceGeometryMathematicsProgramming languageQuantum mechanicsMetal-Organic Frameworks: Synthesis and ApplicationsCovalent Organic Framework ApplicationsAdvanced Photocatalysis Techniques