Atomic-scale description of 2D Janus MoSO and MoSeO formation: oxidation patterns and band-gap engineering.

Transition metal dichalcogenides (TMDs) have attracted attention due to their broad-ranging physical properties. Their semiconducting characteristics make them attractive for nanotechnology applications. In particular, molybdenum disulfide (MoS) and molybdenum diselenide (MoSe) possess direct band gaps of 1.

Understanding the role of carboxylic acid surfactants in the growth inhibition effect during area-selective atomic layer deposition: the case of ZnO growth on Cu and CuO.

Herein, we report a detailed adsorption process of acetic acid (AA) as a model for the head group of carboxylic acid self-assembled monolayers on Cu and CuO (111) surfaces and the effect of diethyl zinc (DEZ) on its adsorption geometry on CuO (111) using quantum chemical calculations. The most stable adsorption configurations were obtained considering electrostatic potential compatibility from the molecule and surface. Overall, the adsorption behavior revealed bidentate binding as the most stable configuration.

Correction: Novel germanene-arsenene and germanene-antimonene lateral heterostructures: interline-dependent electronic and magnetic properties.

Correction for 'Novel germanene-arsenene and germanene-antimonene lateral heterostructures: interline-dependent electronic and magnetic properties' by Chu Viet Ha , , 2023, , 14502-14510, https://doi.org/10.1039/d3cp00828b.

Stable Oxygen Incorporation in Superconducting TaN: An Experimental and Theoretical Assessment.

Oxide formation in superconducting TaN thin films is analyzed through experimental measurements and computational simulations. TaN was synthesized in an ultrahigh vacuum (UHV) system by reactive pulsed laser deposition and characterized by X-ray photoelectron spectroscopy; it was also characterized by X-ray diffraction, transmission electron microscopy, and the four-point probe method. Despite being grown in an UHV chamber with a base pressure of 5 × 10 Torr, TaN contains a significant amount of oxygen (up to 20 at.

Controlling the electronic and magnetic properties of the GeAs monolayer by generating Ge vacancies and doping with transition-metal atoms.

Controlling the electronic and magnetic properties of two-dimensional (2D) materials is a key step to make new multifunctional candidates for practical applications. In this work, defects and doping with transition metals (TMs = V, Cr, Mn, and Fe) at Ge sublattices are proposed in order to develop novel features in the hexagonal germanium arsenide (GeAs) monolayer. The pristine GeAs monolayer is a non-magnetic indirect gap semiconductor with an energy gap of 1.