Speciation of Be in acidic liquid ammonia and formation of tetra- and octanuclear beryllium amido clusters.

The hexa-μ-amido-tetraammine-tetraberyllium compounds [Be(NH)(NH)]X (X = Cl, Br, I, CN, SCN, N) have been prepared from beryllium metal and NHX or [Be(NH)]X in liquid ammonia at ambient temperature. The obtained compounds feature an adamantyl shaped complex cation, which was examined X-ray diffraction, IR, Raman and NMR spectroscopy. The speciation in solution was studied N labeling experiments supplemented with quantum chemistry.

First principles study of the stability of MXenes under an electron beam.

Interactions between two-dimensional MXene sheets and electron beams of a (scanning) transmission electron microscope are studied by first-principles calculations. We simulated the knock-on sputtering threshold for TiC MXene sheets molecular dynamics simulations and for five other MXenes (TiC, TiN, NbC, MoTiC, and TiCN) approximately from defect formation energies. We evaluated the sputtering cross section and sputtering rates and based on those evaluated the surface composition.