The role of computational results databases in accelerating the discovery of catalysts
Nature Catalysis 2018, DOI: 10.1038/s41929-018-0176-4.
Single-atom heterogeneous catalysts based on distinct carbon nitride scaffolds
Natl. Sci. Rev. 2018, 5 (5), 642-652, DOI: 10.1093/nsr/nwy048.
Developments in the atomistic modelling of catalytic processes for the production of platform chemicals from biomass
ChemCatChem 2018, DOI: 10.1002/cctc.201801271.
Selective ensembles in supported palladium sulfide nanoparticles for alkyne semi-hydrogenation
GO TO OPEN ACCESS Nat. Commun 2018, 2634, DOI: 10.1038/s41467-018-05052-4.
A heterogeneous single-atom palladium catalyst surpassing homogeneous systems for Suzuki coupling
Nature Nanotechnology 2018, DOI: 10.1038/s41565-018-0167-2.
*Highlighted in C&EN
Accessing Frustrated Lewis Pair Chemistry through Robust Gold@N-Doped Carbon for Selective Hydrogenation of Alkynes
ACS Catal. 2018, 8, 3516-3524, DOI: 10.1021/acscatal.8b00806.
Microkinetics of alcohol reforming for H2 production from a FAIR density functional theory database
Shape Control in Gold Nanoparticles by N-Containing Ligands: Insights from Density Functional Theory and Wulff Constructions
Top. Catal. 2018, DOI: 10.1007/s11244-017-0880-3.