Copper-coated nanofibrous materials are desirable for catalysis, electrochemistry, sensing, and biomedical use. The preparation of copper or copper-coated nanofibers can be pretty challenging, requiring many chemical steps that we eliminated in our robust approach, where for the first time, Cu was deposited by magnetron sputtering onto temperature-sensitive polymer nanofibers. For the first time, the large-scale modeling of PCL films irradiation by molecular dynamics simulation was performed and allowed to predict the ions penetration depth and tune the deposition conditions. The Cu-coated polycaprolactone (PCL) nanofibers were thoroughly characterized and tested as antibacterial agents for various Gram-positive and Gram-negative bacteria. Fast release of Cu²⁺ ions (concentration up to 3.4 µg/mL) led to significant suppression of E. coli and S. aureus colonies but was insufficient against S. typhimurium and Ps. aeruginosa. The effect of Cu layer oxidation upon contact with liquid media was investigated by X-ray photoelectron spectroscopy revealing that, after two hours, 55% of Cu atoms are in form of CuO or Cu(OH)₂. The Cu-coated nanofibers will be great candidates for wound dressings thanks to an interesting synergistic effect: on the one hand, the rapid release of copper ions kills bacteria, while on the other hand, it stimulates the regeneration with the activation of immune cells. Indeed, copper ions are necessary for the bacteriostatic action of cells of the immune system. The reactive CO₂/C₂H₄ plasma polymers deposited onto PCL-Cu nanofibers can be applied to grafting of viable proteins, peptides, or drugs, and it further explores the versatility of developed nanofibers for biomedical applications use.

The COVID-19 pandemic has raised the problem of efficient, low-cost materials enabling the effective protection of people from viruses transmitted through the air or via surfaces. Nanofibers can be a great candidate for efficient air filtration due to their structure, although they cannot protect from viruses. In this work, we prepared a wide range of nanofibrous biodegradable samples containing Ag (up to 0.6 at.%) and Cu (up to 20.4 at.%) exhibiting various wettability. By adjusting the magnetron current (0.3 A) and implanter voltage (5 kV), the deposition of TiO₂ and Ag⁺ implantation into PCL/PEO nanofibers was optimized in order to achieve implantation of Ag⁺ without damaging the nanofibrous structure of the PCL/PEO. The optimal conditions to implant silver were achieved for the PCL-Ti0.3-Ag-5kV sample. The coating of PCL nanofibers by a Cu layer was successfully realized by magnetron sputtering. The antiviral activity evaluated by widely used methodology involving the cultivation of VeroE6 cells was the highest for PCL-Cu and PCL-COOH, where the VeroE6 viability was 73.1 and 68.1%, respectively, which is significantly higher compared to SARS-CoV-2 samples without self-sanitizing (42.8%). Interestingly, the samples with implanted silver and TiO₂ exhibited no antiviral effect. This difference between Cu and Ag containing nanofibers might be related to the different concentrations of ions released from the samples: 80 μg/L/day for Cu²⁺ versus 15 µg/L/day for Ag⁺. The high antiviral activity of PCL-Cu opens up an exciting opportunity to prepare low-cost self-sanitizing surfaces for anti-SARS-CoV-2 protection and can be essential for air filtration application and facemasks. The rough cost estimation for the production of a biodegradable nanohybrid PCL-Cu facemask revealed ~$0.28/piece, and the business case for the production of these facemasks would be highly positive, with an Internal Rate of Return of 34%.

Nanoparticles are fascinating nanoobjects that are actively studied and widely employed in various fields, such as heterogeneous catalysis and advanced electrode materials. Their local atomic structure and composition can significantly impact their properties. We employed the state-of-the-art first-principles calculations to investigate the effects of AuCu nanoparticle structure and composition on the electronic properties, charge distribution, and CO and O adsorption energies. Two types of nanoparticles were examined in this study; specifically core-shell nanoparticles (Cu@Au, Au@Cu) and bimetallic alloy particles (Au-Cu), all with an average diameter of 2 nm (321 atoms) and exhibiting fcc, icosahedral, and amorphous structures. The research comprehensively investigated the electronic and adsorption properties of the proposed nanoparticles with regard to their ability to adsorb CO and O, revealing the potential for finely tuning of their properties by modifying their atomic structure and composition. Adjusting the core-to-shell ratio allows one to precisely tune the O and CO adsorption energies on the nanoparticle surface, particularly in fcc nanoparticles. This results in a narrower range of adsorption energies, specifically for CO adsorption, which cannot be achieved in bimetallic alloys. Our study shows the significance of this approach for fine-tuning adsorption energies on a nanoparticle surface.