The quest for new transition metal dichalcogenides (TMDs) with outstanding electronic properties operating under ambient conditions draws us to investigate the 1T-HfSe2 polytype hydrostatic pressure. Diamond anvil cell (DAC) devices coupled in situ synchrotron X-ray, Raman, and optical (VIS–NIR) absorption experiments along density functional theory (DFT)-based calculations prove that (i) bulk ...

The title compound, C62H78N4P4Se2Si4·2C5H12, is made up of two [SeC(PPh2NSiMe3)(PPh2NHSiMe3)] units related by an inversion center situated at the mid-point of the diselenide bond. It crystallized with two disordered mol-ecules of pentane used as solvent of crystallization. It is a rare example of an anti-periplanar diselenide and exhibits a long Se-Se bond of 2.4717 (8) Å. The Se-C bond length...

Solar cells are becoming a highly promising alternative energy source for various markets. In the last five years or so a tremendous amount of research effort has been put into increasing the efficiency of solar cell technology and reducing its manufacturing cost. It is believed that success in both of these areas will further propel its use in various markets. The two major structures commerci...

The synthesis and the first X-ray structural characterization of a selenenyl selenocyanate, [o-(2,6-diisopropylphenyliminomethinyl)phenyl]selenenyl selenocyanate (), with a stable Se-Se bond are described. The isolation of stable , both in the solid state and in solution, is facilitated by strong intramolecular SeN interaction. The compound , an example of unsymmetrical diselenide, did not exhi...

Organohalide perovskite with a variety of surface structures and morphologies have shown promising potential owing to the choice type heterostructure dependent stability. We systematically investigate discuss impact 2-dimensional molybdenum-disulphide (MoS2), molybdenum-diselenide (MoSe2), tungsten-disulphide (WS2), tungsten-diselenide (WSe2), boron-nitiride (BN) graphene monolayers on bandgap ...

We develop a low-energy continuum model for phonons in twisted moir\'e bilayers, based on configuration-space approach. In this approach, interatomic force constants are obtained from density functional theory (DFT) calculations of untwisted bilayers with various in-plane shifts. This allows efficient computation phonon properties any small twist angle, while maintaining DFT-level accuracy. Bas...