First-principles studies of the strain-induced band-gap tuning in black phosphorene.

Using first-principles calculations, we have studied the band-gap modulation as function of applied strain in black phosphorene (BP). Dynamical stability has been assessed as well. Three cases have been considered, in the first and second, the strain was applied uniaxially, in thex- andy-axis, separately. In the third, an isotropic in-plane strain was analyzed. Different strain percentages have been considered, ranging from 4% to 20%. The evolution of the band-gap is studied by using standard DFT and the G0W0approach. The band-gap increases for small strains but then decreases for higher strains. A change in electronic behavior also takes place: the strained systems change from direct to indirect band-gap semiconductor, which is explained in terms of thesandp-orbitals overlap. Our study shows that BP is a system with a broad range of applications: in band-gap engineering, or as part of van der Waals heterostructures with materials of larger lattice parameters. Its stability, and direct band-gap behavior are not affected for less than 16% of uniaxial and biaxial strain. Our findings show that phosphorene could be deposited in a large number of substrates without losing its semiconductor behavior.

Spectroscopic Properties of Si-nc in SiOx Films Using HFCVD.

In the present work, non-stoichiometric silicon oxide films (SiOx) deposited using a hot filament chemical vapor deposition technique at short time and simple parameters of depositions are reported. This is motivated by the numerous potential applications of SiOx films in areas such as optoelectronics. SiOx films were characterized with different spectroscopic techniques. The deposited films have interesting characteristics such as the presence of silicon nanoclusters without applying thermal annealing, in addition to a strong photoluminescence after applying thermal annealing in the vicinity of 1.5 eV, which may be attributed to the presence of small, oxidized silicon grains (less than 2 nm) or silicon nanocrystals (Si-nc). An interesting correlation was found between oxygen content, the presence of hydrogen, and the formation of defects in the material, with parameters such as the band gap and the Urbach energies. This correlation is interesting in the development of band gap engineering for this material for applications in photonic devices.

Towards visible-light photocatalysis for environmental applications: band-gap engineering versus photons absorption-a review.

A range of different studies has been performed in order to design and develop photocatalysts that work efficiently under visible (and near-infrared) irradiation as well as to improve photons absorption with improved reactor design. While there is consensus on the importance of photocatalysis for environmental applications and the necessity to utilized solar irradiation (or visible-light) as driving force for these processes, it is not yet clear how to get there. Discussion on the future steps towards visible-light photocatalysis for environmental application is of great interest to scientific and industrial communities and the present paper reviews and discusses the two main approaches, band-gap engineering for efficient solar-activated catalysts and reactor designs for improved photons absorption. Common misconceptions and drawbacks of each technology are also examined together with insights for future progress.