Catalyze+
Catalysis+ is an interdisciplinary research network initiated by scientists Dr. Amil Aligayev and Dr. Javier Dominguez at NOMATEN CoE in the National Centre for Nuclear Research (NCBJ), dedicated to advancing the science and application of catalysis. Our mission is to accelerate breakthroughs in catalysis by building a dynamic, collaborative network that bridges fundamental research and practical application. We aim to unite researchers across disciplines and institutions to address key scientific and technological challenges in catalysis, promote sustainable solutions, and foster the next generation of experts through shared knowledge, resources, and innovation. The network serves as a platform for joint projects, knowledge exchange, and innovation in energy, materials, and environmental applications.
- Nomaten /
Multiscale modeling for material design and experimental analysis of catalytic materials, focusing on reaction mechanisms in photocatalysis, electrocatalysis and pollutant degradation.
- Raziq. F, Aligayev. A, et al., “Exceptional Photocatalytic Activities of rGO Modified (B,N) Co- Doped WO3, Coupled with CdSe QDs for One Photon Z-Scheme System: A Joint Experimental and DFT Study” Adv. Sci. 9, 2102530 (2022) https://doi.org/10.1002/advs.202102530
- Ilyas. T, Aligayev. A, et al., “Design a novel cactus-like Nikel Cobalt Phosphide Based Electro-catalyst for Hydrogen Evolution” Appl. Surf. Sci. 543, 148726 (2021) https://doi.org/10.1016/j.apsusc.2020.148726
- Samadova. U, Aligayev. A, et al., “Exploring Novel ZMFO Perovskite: Advancing Visible-Light Photocatalytic CO2 Reduction with Experimental and DFT Perspectives” Small (2024) https://doi.org/10.1002/smll.202407206
- Aligayev. A, Dominguez J, et al., “Experimentally Validated Computational Study of Water Adsorption–Induced Modifications of Optical and Electronic Properties in g-C3N4”International Journal of Hydrogen Energy (2024) https://doi.org/10.1016/j.ijhydene.2024.12.515
- Aligayev. A, et al., “Dissociative Mechanism from NH3 and CH4 on Ni-Doped Graphene: Tuning Electronic and Optical Properties” Applied Surface Science (2024) https://doi.org/10.1016/j.apsusc.2024.162022
- D. Knozowski, R. Robert, K. Piotr, M. Fronczak, K. Aleksandra, S. Gierlotka, Aligayev. A, et.al, “Plasma-Enhanced Chemical Vapor Deposition of Co3O4 Thin Films as a new approach for improving Oxygen Evolution Activity” Catalysis Today (2025) https://doi.org/10.1016/j.cattod.2025.115374
- Muhammad Rizwan, Aligayev. A et al, “Facet Specific Electron Conduction in Pentavalent (W5+) WO3 Drives Superior Photocatalytic CO2 Reduction in (002) Plane” Journal of Sepa- ration and Purification Technology (2025) https://doi.org/10.1016/j.seppur.2025.133187
- Chao Liu, Yi Cao, Qi Xia, Aligayev. A, Qing Huang, “CoNi-MOF laccase-like nanozymes prepared by dielectric barrier discharge plasma for treatment of antibiotic pollution” Journal of Hazardous Materials (2025) https://doi.org/10.1016/j.jhazmat.2025.138282
- Dominguez J, Aligayev. A, et al., “Dynamical pathways for the interaction of O2, H2O, CH4, and CO2 with α-alumina surfaces: Density functional tight–binding (DFTB+) calculations”Phys. Status Solidi B 2200567 (2023)
- Misbah. L, Aligayev. A, et al., “Promising NiFe2O4/CeO2@GO nanocomposite for improved charge transfer mechanism and efficient photocatalytic removal of tetracycline (TC-HCL) antibiotics” Separation and Purification Technology (2024) https://doi.org/10.1016/j.seppur.2024.128074
- Aligayev. A, Dominguez J, et al., “CH4 and CO2 Adsorption Mechanisms on Monolayer Graphenylene and their Effects on Optical and Electronic Properties” Diamond and Related Materials (2024) https://doi.org/10.1016/j.diamond.2024.111336
- Danish. M, Aligayev. A, et al., “Synergistic Optimization of Thermopower and Thermoelectric Performance of WSe2 via Co-Doping” Chemical Engineering Journal(2025) https://doi.org/10.1016/j.cej.2025.164510
- Nomaten /
Numerical modeling of nanoindentation of single crystal materials and high entropy metal alloys. Radiation in materials at extreme.
Supervised learning with linear regression, Gaussian Approximation Potential Framework.
- F. J. Dominguez-Gutierrez, J. Byggmaestar, K. Nordlund et al. “On the classification and quantification of crystal defects after energetic bombardment by machine learning molecular dynamics simulations”, Nucl. Mater. and Energy 22, 100724 (2020)
- F. J. Dominguez-Gutierrez, J. Byggmaestar, K. Nordlund et al. “Computational study of crystal defects formation in Mo by machine learned molecular dynamics simulations''. Modelling Simul. Mater. Sci. Eng. (2021) . https://doi.org/10.1088/1361-651X/abf152
