Quantum interference features and thermoelectric properties of macrocyclic-single molecules: theoretical and modelling investigation

Abstract

Cycloparaphenylene molecules not only represent a promising host to examine quantum phenomena but also offer distinct electric and thermoelectric properties to explore new designs and features of thermoelectric materials.

Emergence of sliding ferroelectricity in reduced-size SnS nanoparticles

Abstract

Non-ferroelectric SnS undergoes interlayer sliding when the size is reduced to 6 nm, resulting in the emergence of sliding ferroelectricity.

Novel nitrogen-rich lanthanum nitrides induced by the ligand effect under pressure

Abstract

Unique tri-coordinated atoms with alternate sp² and sp³ hybridizations are formed in the N₁₈ ring of LaN₈. The ligand effect of the introduced La atom on the N₁₀ cage induces the structural evolution from I3m-N₁₀ to Imm2-LaN₁₀.

Correction: 1D Zn(II)/2D Cu(I) halogen pyridyl coordination polymers. Band gap engineering by DFT for predicting more efficient photocatalysts in water treatment

Anisotropic thermo-mechanical response of layered hexagonal boron nitride and black phosphorus: application as a simultaneous pressure and temperature sensor

Abstract

The anisotropic thermal and mechanical response of hexagonal boron nitride (hBN) and black phosphorus (bP) have been investigated in situ using high resolution X-ray diffraction.