Mariia V. Pavliuk

Hydrogen evolution with nanoengineered ZnO interfaces decorated using a beetroot extract and a hydrogenase mimic

Herein, we report a nano-hybrid photo-system based on abundant elements for H2 production with visible light. The photo-systems proficiency relates to the novel ZnO nanocrystals employed. The ZnO carboxylate oligoethylene glycol shell enhances charge separation and accumulates reactive electrons for the photocatalytic process.

Green microfluidic synthesis of monodisperse silver nanoparticles via genetic algorithm optimization

A scalable and green procedure for the microfluidic flow synthesis of monodisperse silver nanoparticles is reported. Beetroot extract is used both as a reducing and growth-regulating agent. A multi-objective genetic algorithm was used to automate the optimization of the reaction and reduce sample polydispersity observed in previous reports. The proposed methodology ensures high-quality nanoparticles in a rapidly manner and devoid of human skill or intuition, essential for method standardization and implementation.

Nano-hybrid plasmonic photocatalyst for hydrogen production at 20% efficiency

The efficient conversion of light energy into chemical energy is key for sustainable human development. Several photocatalytic systems based on photovoltaic electrolysis have been used to produce hydrogen via water reduction. However, in such devices, light harvesting and proton reduction are carried separately, showing quantum efficiency of about 10–12%. Here, we report a nano-hybrid photocatalytic assembly that enables concomitant reductive hydrogen production and pollutant oxidation with solar-to-fuel efficiencies up to 20%. The modular architecture of this plasmonic material allows the fine-tuning of its photocatalytic properties by simple manipulation of a reduced number of basic components.

Homogeneous Cobalt/Vanadium Complexes as Precursors for Functionalized Mixed Oxides in Visible‐Light‐Driven Water Oxidation

The heterometallic complexes (NH4 )2 [Co(H2 O)6 ]2 [V10 O28 ]⋅4 H2 O (1) and (NH4 )2 [Co(H2 O)5 (β-HAla)]2 [V10 O28 ]⋅4 H2 O (2) have been synthesized and used for the preparation of mixed oxides as catalysts for water oxidation. Thermal decomposition of 1 and 2 at relatively low temperatures (<500 °C) leads to the formation of the solid mixed oxides CoV2 O6 /V2 O5 (3) and Co2 V2 O7 /V2 O5 (4). The complexes (1, 2) and heterogeneous materials (3, 4) act as catalysts for photoinduced water oxidation. A modification of the thermal decomposition procedure allowed the deposition of mixed metal oxides (MMO) on a mesoporous TiO2 film. The electrodes containing Co/V MMOs in TiO2 films were used for electrocatalytic water oxidation and showed good stability and sustained anodic currents of about 5 mA cm-2 at 1.72 V versus relative hydrogen electrode (RHE). This method of functionalizing TiO2 films with MMOs at relatively low temperatures (<500 °C) can be used to produce other oxides with different functionality for applications in, for example, artificial photosynthesis.

Direct Determination of Metal Complexes’ Interaction with DNA by Atomic Telemetry and Multiscale Molecular Dynamics

The lack of molecular mechanistic understanding of the interaction between metal complexes and biomolecules hampers their potential medical use. Herein we present a robust procedure combining resonant X-ray emission spectroscopy and multiscale molecular dynamics simulations, which allows for straightforward elucidation of the precise interaction mechanism at the atomic level. The report unveils an unforeseen hydrolysis process and DNA binding of [Pt{N(p-HC6F4)CH2}2py2] (Pt103), which showed potential cytotoxic activity in the past. Pt103 preferentially coordinates to adjacent adenine sites, instead of guanine sites as in cisplatin, because of its hydrogen bond ability. Comparison with previous research on cisplatin suggests that selective binding to guanine or adenine may be achieved by controlling the acidity of the compound.

Controlling dark catalysis with quasi half-cycle terahertz pulses

This study reports the changes in the platinum electronic structure induced by a strong electric field originated from quasi half-cycle THz pulses, which forces the C–O molecule to dissociate. The changes could be rationalized via a simple analysis of the local density-of-states and easily characterised via high resolution X-ray absorption spectroscopy (HR-XAS). Thus, conferring half-cycle THz pulses the capability of triggering dark catalytic processes required to follow real time catalytic bond rupture or formation, i.e., time-resolved measurements using THz as the pump and HR-XAS as the probe.

Conceptual design of a nanoleaf for artificial photosynthesis

Converting solar energy into chemical bonds is very attractive approach because energy is produced and stored without greenhouse gas emission. This perspective review covers the blueprint requirements paramount for the development of a nanoleaf containing plasmonic nanostructures as light absorber. The work is focused on d10 metals since their plasmonic resonances match the visible light spectrum. Correspondence to: Jacinto Sá, Department of Chemistry, Ångström Laboratory, Uppsala University, Uppsala, 75120, Sweden, E-mail: jacinto.sa@kemi.uu.se