The ongoing miniaturization of electronic devices has boosted the development of new post-silicon two-dimensional (2D) semiconductors, such as transition metal dichalcogenides, one of the most prominent materials being molybdenum disulfide (MoS₂). A major obstacle for the industrial production of MoS₂-based devices lies in the growth techniques. These must ensure the reliable fabrication of MoS₂ with tailored 2D properties to allow for the typical direct bandgap of 1.9 eV, while maintaining large-area growth and device compatibility. In this work, we used a versatile and industrially scalable MoS₂ growth method based on ionized jet deposition and annealing at 250 °C, through which a 3D stable and scalable material exhibiting excellent electronic and optical properties of 2D MoS₂ is synthesized. The thickness-related limit, i.e., the desired optical and electronic properties being limited to 2D single/few-layered MoS₂, was overcome in the thin film through the formation of encapsulated highly crystalline 2D MoS₂ nanosheets exhibiting a bandgap of 1.9 eV and sharp optical emission. The newly synthesized 2D-in-3D MoS₂ structure will facilitate device compatibility of 2D materials and confer superior optoelectronic device function.

A study of electron capture and loss processes during the scattering of H, O, and F atoms and anions on a MgO(100) surface is described. Large fractions of anions in the scattering of atoms are observed, indicating the existence of an efficient electron capture process. This is ascribed to a nonresonant, localized charge exchange mechanism between an atom and a MgO lattice oxygen anion. This charge transfer becomes possible because of anion level shifts in the Madelung field. The existence of an electron loss channel is demonstrated using incident anions and is ascribed to loss to the conduction band or Mg cations.

Phthalocyanine (H₂Pc) and its open-shell copper complex (CuPc) deposited on amorphous gold films have been studied by combining the outcomes of several synchrotron based spectroscopic tools (X-ray photoelectron spectroscopy, UV photoelectron spectroscopy and near-edge X-ray absorption fine structure, NEXAFS, spectroscopy) with those of density functional theory (DFT) calculations. The assignment of experimental evidence has been guided by the results of DFT numerical experiments carried out on isolated molecules. With specific reference to CuPc NEXAFS data collected at the N K-edge, they have been assigned by using the open-shell time-dependent DFT (TDDFT) in the framework of the zeroth order regular approximation (ZORA) scalar relativistic approach. The agreement between theory and experiment has been found to be satisfactory, thus indicating that the open-shell TDDFT (F. Wang and T. Ziegler, Mol. Phys., 2004, 102, 2585) may be used with some confidence to look into the X-ray absorption spectroscopy results pertinent to transition metal complexes. As far as the metal–ligand interaction is concerned, the combined use of NEXAFS spectroscopy and DFT outcomes ultimately testified the significant ionic contribution characterizing the bonding between the metal centre and the nitrogen atoms of the phthalocyanine coordinative pocket.