Unveiling hole trapping and surface dynamics of NiO nanoparticles† †Electronic supplementary information (ESI) available. See DOI: 10.1039/c7sc03442c

Surface electron dynamics in hematite (α-Fe2O3): correlation between ultrafast surface electron trapping and small polaron formation† †Electronic supplementary information (ESI) available. See DOI: 10.1039/c7sc02826a

Mechanism of photocatalytic water oxidation on small TiO2 nanoparticles† †Electronic supplementary information (ESI) available: Full details on computational methodology, analysis of reactive trajectory for (TiO2)4(OH)4(H2O)4 and of non-adiabatic transitions. See DOI: 10.1039/c6sc04378j Click here for additional data file.

We present the first unconstrained nonadiabatic molecular dynamics (NAMD) simulations of photocatalytic water oxidation by small hydrated TiO2 nanoparticles using Tully surface hopping and time-dependent density functional theory. The results indicate that ultrafast electron–proton transfer from physisorbed water to the photohole initiates the photo-oxidation on the S1 potential energy surface....

Synthesis and electrokinetics of cationic spherical nanoparticles in salt-free non-polar media† †Electronic supplementary information (ESI) available. See DOI: 10.1039/c7sc03334f. Data are also available from the Zenodo repository at DOI: 10.5281/zenodo.1066849.

Molecular cage-bridged plasmonic structures with well-defined nanogaps as well as the capability of reversible and selective guest trapping† †Electronic supplementary information (ESI) available. CCDC 1492105. For ESI and crystallographic data in CIF or other electronic format see DOI: 10.1039/c7sc03536e

Targeting protein-loaded CB[8]-mediated supramolecular nanocarriers to cells† †Electronic supplementary information (ESI) available: Synthetic procedures; nanoparticles preparation and characterization; calculations of the encapsulated protein fraction; details of cells experiments. See DOI: 10.1039/c7ra10980f