” Successfully engineered and stabilized 90 atomically precise quantum sites on a tailored substrate for quantum chip architectures, achieving ultra-high spatial uniformity and quantum-confined electronic states. Observed a controlled photoluminescence blue shift corresponding to discrete energy levels, enabling potential qubit platforms for quantum information processing and quantum sensing applications.”
POLONEZ BIS 3 project no. 2022/47/P/ST4/03412
Title: „Simple methods for the synthesis of future, unconventional plasmonic materials with mono-atom and bimetallic centers for sustainable H2 production and CO2 reduction.”
Acronym: PLSMNSNGLTM-A
KEY ACHIEVEMENTS OF THE PROJECT
Interfacial Lewis Acid–Base Pairing in g-C₃N₄–TiN Heterostructures for Photocatalytic Water Splitting.
Formation of Lewis Acid–Base Pairs: g-C₃N₄ nanosheets are combined with TiN particles, a heterointerface is formed where both materials interact closely. At this interface, nitrogen atoms in g-C₃N₄ act as Lewis’s base sites, while titanium atoms in TiN function as Lewis’s acid sites. Although they do not form a full chemical bond due to structural differences, their proximity enables cooperative interactions with reactant molecules, creating effective interfacial catalytic sites.
Light Absorption: Under visible light irradiation, g-C₃N₄ absorbs photons and generates electron–hole pairs. In this process, electrons are excited to the conduction band while holes remain in the valence band, initiating the photocatalytic reaction.
Charge Transfer to TiN: The conductive nature of TiN allows photogenerated electrons to transfer from g-C₃N₄ to TiN. This electron migration significantly suppresses electron–hole recombination and enhances charge separation efficiency, which is crucial for improved photocatalytic performance.
Water Adsorption at the Interface: Water molecules preferentially adsorb at the UNS C₃N₄–TiN interface. Here, nitrogen sites interact with hydrogen atoms, while titanium (TiN 50 nm cube) sites interact with oxygen atoms. This dual interaction polarizes the O–H bond, making it more reactive and easier to break.
Water Dissociation: The cooperative Lewis acid–base interaction weakens the O–H bond in water, enabling its dissociation into hydrogen (H*) and hydroxyl (OH*) intermediates. These surface-bound species are essential for driving subsequent redox reactions.
Hydrogen Evolution Reaction: Electrons accumulated on the TiN surface reduce hydrogen intermediates to produce molecular hydrogen. This step results in the formation and release of H₂ gas from the catalyst surface.
Oxygen Evolution Reaction: Simultaneously, the photogenerated holes on UNS-C₃N₄ oxidize hydroxyl intermediates to produce oxygen. This completes the oxidation half-reaction and sustains the overall water splitting process.
Enhanced Charge Separation: The presence of TiN as an electron-accepting phase improves charge separation by acting as an electron sink. This reduces recombination losses and enhances the overall efficiency of the photocatalytic system.
Improved Water Activation: The interfacial Lewis acid–base pairs significantly enhance water adsorption and activation. This cooperative mechanism facilitates efficient bond polarization and accelerates the dissociation process.
Increased Active Sites: The ultrathin structure of UNSC₃N₄ nanosheets exposes a larger number of nitrogen active sites. This increases the density of catalytic centers available for reaction.
Faster Reaction Kinetics: The synergistic interaction between UNSC₃N₄ and TiN lowers activation energy barriers, leading to faster reaction kinetics and improved catalytic performance.
Design Considerations: To achieve optimal performance, factors such as strong interfacial contact, high surface area of nanosheets, uniform dispersion of TiN, proper band alignment, and controlled defect density must be carefully engineered.
Conclusion: Overall, the g-C₃N₄–TiN system represents an efficient photocatalytic platform for water splitting. The formation of interfacial Lewis acid–base pairs enable effective activation of water molecules, while TiN enhances charge transport and reduces recombination. With proper structural design and optimization, the present optimized C3N4 -TiN formulated system holds strong potential for sustainable hydrogen production and advanced photocatalytic applications.
Fe-SA-NG SAC
1. Herein, an unprecedented novel synthetic strategy for the introduction of single-site Iron atoms into the N doped graphene matrix is reported. The novel microwave protocol for mass-scale single-atom formulation is a significant advancement in the field of catalyst synthesis. 2. This method ensures no loss of reactive material, including metals, achieves high synthesis yield, and prevents the formation of low-coordinated clusters and nanoparticles. By effectively introducing individual single metal entities, this technique could greatly enhance the performance and efficiency of catalysts used in proton exchange membrane fuel cells (PEMFCs). 3. The enhanced performance is attributed to the unique electronic properties of the high uniform loading (14.05 wt. % AAS) of Fe single atoms and the synergistic effects between the Fe sites and the nitrogen-doped graphene support. It’s a promising step towards making PEMFC technology more commercially viable and sustainable. 4. ORR rate constant for the Fe-SA-NG catalyst is in the range of 1–1.4 × 10⁻² cm/s, highlighting its potential as an effective alternative to traditional Pt/C catalysts. 5. The FeSA-NG electrocatalyst exhibits exceptional resistance to methanol crossover, evidenced by negligible alterations in voltammograms at 1600 rpm in 0.5 M KOH, and demonstrates outstanding durability over 1000 cycles within the potential window of 0.3 to 1 V at a scan rate of 20 mV/s.
SAC-Ni@UNSCN
Non-precious Ni single-atom catalyst (SAC-Ni@UNSCN) on ultrathin nanosheets (UNS) for selective hydrogenation. Operates under mild, hydrogen-free conditions using eco-friendly H₂O–Zn system (water as H source)
Microwave-assisted synthesis yields high Ni loading (6.41 wt.%, AAS). Uniform single-atom dispersion with well-defined Ni–N coordination (~1.58 Å bond length) Microwave process creates open ultra-nanosheet architecture (vs. closed stacked structure from calcination)
XRD: (001) peak broadening/disappearance + (002) shift from 32.0° → 32.56°. Indicates lattice distortion and interlayer expansion.
Ensures atomic Ni dispersion and strong Ni–N anchoring. Improves accessibility of active sites for reactants/products
XPS & EXAFS: no Ni–Ni scattering → confirms true single-atom structure. DFT: open structures (S2, S3) show optimal H adsorption (ΔG ≈ 0.21 eV)
Consistent with Sabatier principle; superior to closed systems. Open framework enhances charge transfer and (002) plane accessibility. Overcomes typical SAC limitations. Achieves >99% conversion and selectivity. Efficient for nitro and aldehyde hydrogenation. Reaction completes in ~6 h under ambient, hydrogen-free conditions
Jerzy Haber Institute of Catalysis and Surface Chemistry Polsh Academy of Sciences ul. Niezapominajek 8 30-239 Kraków Poland
Research team of the Jerzy Haber Institute of Catalysis and Surface Chemistry Polish Academy of Sciences is committed to in-depth understanding of phenomena and material transformations occurring at gas-solid, gas-liquid and liquid-solid interfaces through research combining significant aspects of chemistry, physics, chemical technology, material engineering, biology and medicine. Our fundamental theoretical and experimental studies are combined with applied research so that the results obtained are used in protection of health, environment and cultural heritage, as well as to improve technological processes. We educate and train doctoral students in theoretical basis and methods of surface studies by engaging them in innovative research projects and making available our unique instrumentation. In the latest research quality evaluation by the Ministry of Science and Higher Education, we were granted the highest A+ scientific category.
This research is part of the project No. 2022/47/P/ST4/03412 co-funded by the National Science Centre and the European Union’s Horizon 2020 research and innovation programme under the Marie Skłodowska-Curie grant agreement No. 945339.
Simple methods for the synthesis of future, unconventional plasmonic materials with mono-atom and bimetallic centers for sustainable H2 production and CO2 reduction.
Almost a quarter of the worldwide energy sector is dependent on the current catalytic process. For boosting the future economy, photocatalysis research has become the central development regime of new, clean protocols to generate energy. However, single-site catalysis holds a new frontier in the realm of heterogeneous catalysis. The main goal of the present research is to reach significant enhancement in photocatalytic hydrogen evolution via solar water splitting, either by metal-free conditions or atomic engineering with single atoms. These photocatalysts may increase the production of hydrogen due to their high and efficient photocatalytic performance further with single atom engineering. Such formulated energy-based materials will be explored further via enhancing visible light absorption and introduction of tunable band gaps for hydrogen production as green energy storage and environmental protection.
Simple methods for the synthesis of future, unconventional plasmonic materials with mono-atom and bimetallic centers for sustainable H2 production and CO2 reduction.
