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High-pressure torsion (HPT) can facilitate phase transformations in titanium dioxide (TiO2) and stabilize its high-pressure columbite phase, as an active photocatalyst, by shear straining under high pressure. This study aims to understand the mechanism underlying the acceleration of the anatase-to-columbite phase transformation by shear strain. A mechanism by considering sheared crystal structures as intermediate phases was proposed and examined using quantum mechanics in the framework of density functional theory (DFT) and HPT experiments. DFT energy and phonon calculations demonstrated the viability of the sheared structures as intermediate phases. Furthermore, the sheared structures were observed experimentally as new metastable phases using high-resolution transmission electron microscopy. These findings can explain the significant effect of shear strain on pressure-induced phase transitions, reported during severe plastic deformation of various metals and ceramics.

High-entropy oxides (HEOs), containing at least five principal cations, have recently emerged as promising photocatalysts for hydrogen production via water splitting. Despite their high potential, the impact of the cation mixtures on photocatalytic activity remains poorly understood. This study investigates the high-entropy photocatalyst TiZrHfNbTaO11 using first-principles calculations combined with experimental methods to elucidate the effects of various elements on electronic structure and water splitting performance. The results indicate that the HEO exhibits a bandgap comparable to TiO2 polymorphs rutile, brookite and anatase. Cations with lower electronegativity, such as hafnium and zirconium, provide the strongest water adsorption energy, serving as active sites for water adsorption. Additionally, the co-presence of highly electronegative cations like niobium and tantalum adjacent to hafnium and zirconium enhances charge transfer to water molecules, improving splitting efficiency. These findings suggest novel strategies for designing high-entropy photocatalysts by synergistic incorporating cations with different electronegativities.

Photocatalytic CO2 conversion is a clean technology to deal with CO2 emissions, and titanium oxide (TiO2) polymorphs are the most investigated photocatalysts for such an application. In this study, black TiO2 brookite is produced by a high-pressure torsion (HPT) method and employed as an active photocatalyst for CO2 conversion. Black brookite with a large concentration of lattice defects (vacancies, dislocations and grain boundaries) showed enhanced light absorbance, narrowed optical bandgap and diminished recombination rate of electrons and holes. The photocatalytic activity of the black oxide for CO2 conversion was higher compared to commercial brookite and benchmark P25 catalyst powders. First-principles calculations suggested that the presence of oxygen vacancies in black brookite is effective not only for reducing optical bandgap but also for providing active sites for the adsorption of CO2 on the surface of TiO2.

High-entropy oxides (HEOs), as multi-component ceramics with high configurational entropy, have been of recent interest due to their attractive properties including photocatalytic activity for H2 production and CO2 conversion. However, the photocatalytic activity of HEOs is still limited to ultraviolet light. In this study, to achieve visible-light-driven photocatalysis, 10 different heterojunctions were simultaneously introduced in the Ti-Zr-Nb-Ta-W-O system. The oxide, which was synthesized by a high-pressure torsion method and oxidation, successfully produced oxygen from water under visible light without co-catalyst addition. The photocatalytic performance was attributed to high visible-light absorption, narrow bandgap, appropriate band structure, presence of multiple heterojunctions and accordingly easy electron-hole separation and slow recombination. These results not only show the potential of high-entropy oxides as new visible-light-active photocatalysts, but also introduce the multiple-heterojunction introduction as a strategy to achieve photocatalysis under visible light.

CO$_2$ photoreduction on photocatalysts is a nature-friendly solution to decrease the CO$_2$ amount, but the method still has low efficiency because of difficult separation and easy recombination of charge carriers in available catalysts. In this study, a high-entropy oxynitride was introduced as an active photocatalyst for photoreduction. The material had a chemical composition of TiZrNbHfTaO$_6$N$_3$ and was produced by a high-pressure torsion method followed by oxidation and nitriding. It showed higher photocatalytic CO$_2$ to CO conversion compared to corresponding high-entropy oxide, benchmark photocatalyst P25 TiO$_2$, and almost all catalysts introduced in the literature. The high activity of this oxynitride, which also showed good chemical stability, was attributed to the large absorbance of light and easy separation of electrons and holes, the low recombination of charge carriers, and the high CO$_2$ adsorption on the surface. These findings introduce high-entropy oxynitrides as promising photocatalysts for CO$_2$ photoreduction.

High-entropy oxides (HEOs), as a new family of materials with five or more principal cations, have shown promising properties for various applications. In this work and inspired by inherent defective and strained structure of HEOs, photocatalytic CO2 conversion is examined on a dual-phase TiZrNbHfTaO11 synthesized by a two-step high-pressure torsion mechanical alloying and high-temperature oxidation. The HEO, which had various structural defects, showed simultaneous photocatalytic activity for CO2 to CO and H2O to H2 conversion without the addition of a co-catalyst. The photocatalytic activity of this HEO for CO2 conversion was better than conventional photocatalysts such as anatase TiO2 and BiVO4 and similar to P25 TiO2. The high activity of HEO was discussed in terms of lattice defects, lattice strain, light absorbance, band structure, photocurrent generation and charge carrier mobility to activation centers. The current study confirms the high potential of HEOs as a new family of photocatalysts for CO2 conversion.

Excessive CO2 emission from fossil fuel usage has resulted in global warming and environmental crises. To solve this problem, the photocatalytic conversion of CO2 to CO or useful components is a new strategy that has received significant attention. The main challenge in this regard is exploring photocatalysts with high efficiency for CO2 photoreduction. Severe plastic deformation (SPD) through the high-pressure torsion (HPT) process has been effectively used in recent years to develop novel active catalysts for CO2 conversion. These active photocatalysts have been designed based on four main strategies: (i) oxygen vacancy and strain engineering, (ii) stabilization of high-pressure phases, (iii) synthesis of defective high-entropy oxides, and (iv) synthesis of low-bandgap high-entropy oxynitrides. These strategies can enhance the photocatalytic efficiency compared with conventional and benchmark photocatalysts by improving CO2 adsorption, increasing light absorbance, aligning the band structure, narrowing the bandgap, accelerating the charge carrier migration, suppressing the recombination rate of electrons and holes, and providing active sites for photocatalytic reactions. This article reviews recent progress in the application of SPD to develop functional ceramics for photocatalytic CO2 conversion.

This paper studies the optimal energy management in a group of dwellings having micro fuel cell combined heat and power systems. To increase the self-sufficiency and resilience of such local community, a peer-to-peer energy trading system between dwellings is proposed in which output powers from fuel cells working under their rated powers can be sold to those already reach their rated outputs but still lack powers. The arising optimization problem from this optimal peer-to-peer energy trading system is non-convex due to the nonlinear dependence of power and heat efficiencies on fuel cell output power. Therefore, a linearization method is proposed to convexify the problem. Consequently, a distributed ADMM approach is introduced to solve the convexified optimization problem in parallel at each dwelling. A case study for a group of six dwellings based on realistic electric consumption data is then presented to demonstrate the proposed approach performance and positive impacts of the P2P energy trading system. More specifically, the proposed distributed ADMM approach is reasonably fast in convergence and is scalable well with system size. In addition, P2P electricity trading system helps operate fuel cells at a higher efficiency and increase the self-sufficiency of such dwellings., Comment: Accepted for publication in the International Journal of Electrical Power and Energy Systems