The effect of particle size on the optical and electronic properties of hydrogenated silicon nanoparticles.

We use a combination of many-body perturbation theory and time-dependent density functional theory to study the optical and electronic properties of hydrogen terminated silicon nanoparticles. We predict that the lowest excited states of these silicon nanoparticles are excitonic in character and that the corresponding excitons are completely delocalised over the volume of the particle. The size of the excitons is predicted to increase proportionally with the particle size.

Hydrogen-bonding chain and dimer motifs in pyridinium and morpholinium hydrogen oxalate salts.

We present here three compounds consisting of pyridinium or morpholinium hydrogen oxalates, each displaying different hydrogen-bonding motifs, resulting in chains for 4-(di-methyl-amino)-pyridinium hydrogen oxalate 0.22-hydrate, CHN ·CHO ·0.22HO (), dimers for 4--butyl-pyridinium hydrogen oxalate, CHN·CHO (), and chains for morpholin-ium hydrogen oxalate, CHNO·CHO ().