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The interaction between metal nanoparticles and bacteria belongs to the central issues in a dynamically growing bionanotechnological research. Herein, we investigated the adhesion efficiency of gold nanoparticles (30 nm) for various bacterial strains, both Gram-positive (Bacillus subtilis, Staphylococcus carnosus) and Gram-negative (Neisseria subflava, Stenotrophomonas maltophilia). The thorough microscopic (SEM/TEM) observations revealed that the nanoparticles do not penetrate into the bacterial cells but adhere to the walls. Large differences in the adhered nanoparticles amount were observed for the investigated strains (B. subtilis >> S. carnosus > N. subflava > S. maltophilia). A direct correlation between the number of the attached nanoparticles and the ζ-potential of the bacterial strains was found, and the results were rationalized in terms of the DLVO model. The calculated DLVO energy profiles revealed that the activation barriers for the adhesion process are rather small (1.45–1.55 kT), and the primary energy minima of 120–170 kT are favorable for the effective adsorption process. The established linear correlation between the nanoparticles adhered to the cell surface and the size of the critical volume around the bacterial cell, where the attraction forces dominate, implies that the observed dramatic differences in the attachment efficiency result from the availability of the nanoparticles in the critical volume of the surrounding suspensions. Owing to non-specific interactions governed by the ζ-potential mainly, the obtained results can be readily extended for the other bacteria–nanoparticle systems, providing a rational background for future advances in bacteria detection and thorough characterization via SERS method as well as for nanoparticles assemblies towards nanoelectronics.

Catalytic high temperature decomposition (secondary abatement) of nitrous oxide over calcium aluminate 12CaO · 7Al 2 O 3 (mayenite) was studied in the model laboratory tests (TPSR) and pilot units (steady-state) using the real feed. X-ray diffraction (XRD), scanning electron microscopy (SEM), N 2 -sorption (BET), electron paramagnetic resonance (EPR) and Raman spectroscopies were used to characterize the synthesized material. The catalyst exhibited high efficiency and selectivity in N 2 O removal, reaching practically 100% conversion at 1150 K without appreciable total losses of NO x . Owing to its high thermal stability and resistivity to sintering and low cost of production raw materials, mayenite was found to be a promising catalyst for economically appealing secondary abatement of nitrous oxide in nitric acid plants.

A series of potassium-promoted spinels (Mn, Fe, Co) were prepared with various K+ promoter locations: on the surface (surface promotion) or in the bulk (formation of new layered and tunneled nanostructures via solid state reaction). All prepared samples were characterized by means of X-ray diffraction, Raman spectroscopy, X-ray fluorescence and N2-BET specific surface area analysis. Catalytic activity in soot combustion in different reaction conditions was investigated (tight contact, loose contact, loose contact with NO addition). It was shown that in all cases the nanostructuration is more effective than the surface promotion, with the layered structures of KCo4O8, KMn4O8 being the most catalytically active phases, lowering the soot combustion down to 250 °C. The difference in activity between tight and loose contacts can be bridged in the presence of NO due to its transformation into NO2, which acts as the oxygen carrier from the catalyst surface into soot particles, eliminating the soot-catalyst contact difference.

One of the practical efforts in the development of oxygen reduction reaction (ORR) catalysts applicable to fuel cells and metal-air batteries is focused on reducing the cost of the catalysts production. Herein, we have examined the ORR performance of cheap, non-noble metal based catalysts comprised of nanosized mixed Fe-Co spinels deposited on N,S-doped mesoporous carbon support (N,S-MPC). The effect of the chemical and phase composition of the active phase on the selectivity of catalysts in the ORR process in alkaline media was elucidated by changing the iron content. The synthesized materials were thoroughly characterized by transmission electron microscopy (TEM), X-ray diffraction (XRD), and Raman spectroscopy (RS). Detailed S/TEM/EDX and Raman analysis of the phase composition of the synthesized ORR catalysts revealed that the dominant mixed iron-cobalt spinel is accompanied by minor fractions of bare cobalt and highly dispersed spurious iron oxides (Fe2O3 and Fe3O4). The contribution of individual phases and their degree of agglomeration on the carbon support directly influence the selectivity of the obtained catalysts. It was found that the mixed iron-cobalt spinel single phase gives rise to significant improvement of the catalyst selectivity towards the desired 4e− reaction pathway, in comparison to the reference bare cobalt spinel, whereas spurious iron oxides play a negative role for the catalyst selectivity.

Nanocrystalline cobalt spinel has been recognized as a very active catalytic material for N2O decomposition. Its catalytic performance can be substantially modified by proper doping with alien cations with precise control of their loading and location (spinel surface, bulk, and spinel-dopant interface). Various doping scenarios for a rational design of the optimal catalyst for low-temperature N2O decomposition are analyzed in detail and the key reactivity descriptors are identified (content and topological localization of dopants, their redox vs. non-redox nature and catalyst work function). The obtained results are discussed in the broader context of the available literature data to establish general guidelines for the rational design of the N2O decomposition catalyst based on a cobalt spinel platform.

The use of electron paramagnetic resonance spectroscopy to study the superoxide intermediates, generated by end-on and side-on adsorption of the naturally abundant and 17O-enriched dioxygen on catalytic surfaces is discussed. Basic mechanisms of O2− radical formation via a cationic redox mechanism, an anionic redox mechanism, and an electroprotic mechanism are illustrated with selected oxide-based systems of catalytic relevance. Representative experimental spectra of various complexities are analyzed and their diagnostic features have been identified and interpreted. The molecular nature of the g and A tensors of the electrostatic and covalent superoxide adducts is discussed in detail within the classic and density functional theory based approaches.

The beneficial effect (decrease of the half conversion temperature by 100 °C) of potassium doping, in the range of 0-5 atoms/nm², on N₂O decomposition over Co₃O₄ was analyzed by work function measurements and DFT calculations. The optimal potassium surface loading was found to be 1.8 atoms/nm². The effect was explained in terms of electronic promotion gauged by lowering of the catalyst work function by 0.48 eV (for K₂CO₃ precursor) and 0.44 eV (for KOH). The promotional effect is discussed in relation to the theoretical and experimental surface dipoles determined from Hirshfeld atomic charges and geometry of the postulated potassium adspecies and from the Topping model, respectively.

A series of Nb-doped (0–23 wt%) cryptomelane catalyst (Nb-K-OMS-2) was synthesized and thoroughly characterized by XRD, TEM/EDX, XRF, XPS, XAS, UV-Vis, and Raman techniques corroborated by the work function measurements. The obtained catalysts were tested for soot oxidation (Printex U) in model tight and loose contact modes. It was shown that the catalytic properties of the Nb-K-OMS-2 are controlled by the amount of Nb dopant in a strongly non-monotonous way. The introduction of niobium gives rise to the strain in the cryptomelane lattice, accompanied by significant Mn+3/Mn+4 ratio variations and concomitant work function changes. The isotopic exchange experiments revealed that the catalytic activity of the Nb-OMS-2 catalysts in soot combustion proceeds via the pathways, where both the activated suprafacial 18O and the surface 16O2− species participate together in the reaction. The niobium doping level controls the non-monotonous changes of the catalyst work function and the lattice strain, and variations of these parameters correlate well with the observed deSoot activity. To our best knowledge, the role of the lattice strain of the cryptomelane catalysts was documented for the first time in this study.

Molecular structures of the isolated tetrahedral oxovanadium(IV) and bridged μ-oxo-divanadium(IV) complexes hosted by the clusters mimicking surfaces of amorphous silica-based materials were investigated using density functional theory (DFT) calculations. Principal values of the g and A tensors for the monomer vanadyl species were obtained using the coupled-perturbed DFT level of theory and the spin-orbit mean-field approximation (SOMF). Magnetic exchange interaction for the μ-oxo bridged vanadium(IV) dimer was investigated within the broken symmetry approach. An antiferromagnetic coupling of the individual magnetic moments of the vanadium(IV) centers in the [VO-O-VO](2+) bridges was revealed and discussed in detail. The coupling explains pronounced decrease of the electron paramagnetic resonance signal (EPR) intensity, observed for the reduced VO(x)/SiO(2) samples with the increasing coverage of vanadia, in terms of transformation of the paramagnetic monomer species into the dimers with S = 0 ground state.