Nanoporous TiN/TiO2/Alumina Membrane for Photoelectrochemical Hydrogen Production from Sewage Water

An aluminum oxide, Al2O3, template is prepared using a novel Ni imprinting method with high hexagonal pore accuracy and order. The pore diameter after the widening process is about 320 nm. TiO2 layer is deposited inside the template using atomic layer deposition (ALD) followed by the deposition of 6 nm TiN thin film over the TiO2 using a direct current (DC) sputtering unit. The prepared nanotubular TiN/TiO2/Al2O3 was fully characterized using different analytical tools such as X-ray diffraction (XRD), Energy-dispersive X-ray (EDX) spectroscopy, scanning electron microscopy (SEM), and optical UV-Vis spectroscopy. Exploring the current-voltage relationships under different light intensities, wavelengths, and temperatures was used to investigate the electrode’s application before and after Au coating for H2 production from sewage water splitting without the use of any sacrificing agents. All thermodynamic parameters were determined, as well as quantum efficiency (QE) and incident photon to current conversion efficiency (IPCE). The QE was 0.25% and 0.34% at 400 mW·cm−2 for the photoelectrode before and after Au coating, respectively. Also, the activation energy was 27.22 and 18.84 kJ·mol−1, the enthalpy was 24.26 and 15.77 J·mol−1, and the entropy was 238.1 and 211.5 kJ−1·mol−1 before and after Au coating, respectively. Because of its high stability and low cost, the prepared photoelectrode may be suitable for industrial applications.

A Review of Recent Developments in Molecular Dynamics Simulations of the Photoelectrochemical Water Splitting Process

In this review, we provide a short overview of the Molecular Dynamics (MD) method and how it can be used to model the water splitting process in photoelectrochemical hydrogen production. We cover classical non-reactive and reactive MD techniques as well as multiscale extensions combining classical MD with quantum chemical and continuum methods. Selected examples of MD investigations of various aqueous semiconductor interfaces with a special focus on TiO2 are discussed. Finally, we identify gaps in the current state-of-the-art where further developments will be needed for better utilization of MD techniques in the field of water splitting.

Photoelectrochemical Hydrogen Production by Screen-Printed Copper Oxide Electrodes

In this work, copper oxides-based photocathodes for photoelectrochemical cells (PEC) were produced for the first time by screen printing. A total 7 × 10−3 g/m2 glycerine trioleate was found as optimum deflocculant amount to assure stable and homogeneous inks, based on CuO nano-powder. The inks were formulated considering different binder amounts and deposited producing films with homogenous thickness, microstructure, and roughness. The as-produced films were thermally treated to obtain Cu2O- and Cu2O/CuO-based electrodes. The increased porosity obtained by adding higher amounts of binder in the ink positively affected the electron transfer from the surface of the electrode to the electrolyte, thus increasing the corresponding photocurrent values. Moreover, the Cu2O/CuO system showed a higher charge carrier and photocurrent density than the Cu2O-based one. The mixed Cu2O/CuO films allowed the most significant hydrogen production, especially in slightly acid reaction conditions.