Items where authors include "de Leeuw, N.H."

Article

Davoudabdollah, M., Kowsari, E., Boghrabad, M.M. et al. (3 more authors) (2025) Doxorubicin-functionalized graphene nanoribbons as novel assistant for ionic liquid-based electrolyte in DSSCs: an experimental and DFT study. Research on Chemical Intermediates. ISSN 0922-6168

Guo, C., Bi, C., Wei, S. et al. (6 more authors) (2025) Highly Efficient and Stable CsPbI3 Perovskite Quantum Dots Light-Emitting Diodes Through Synergistic Effect of Halide-Rich Modulation and Lattice Repair. Small, 21 (8). 2409630. ISSN 1613-6810

Kumar, K., de Leeuw, N.H. orcid.org/0000-0002-8271-0545, Adam, J. et al. (1 more author) (2024) Mechanistic insights into CO 2 activation on pristine, vacancy-containing and doped goldene: a single-atom layer of gold. Physical Chemistry Chemical Physics, 26 (47). ISSN 1463-9076

Chu, X., Santos-Carballal, D. orcid.org/0000-0002-3199-9588 and de Leeuw, N.H. orcid.org/0000-0002-8271-0545 (2024) Water adsorption at the (010) and (101) surfaces of CuWO₄. Physical Chemistry Chemical Physics, 26 (45). pp. 28628-28642. ISSN 1463-9076

Kumar, K., de Leeuw, N.H. orcid.org/0000-0002-8271-0545, Adam, J. et al. (1 more author) (2024) Strain-induced bandgap engineering in 2D ψ-graphene materials: a first-principles study. Beilstein Journal of Nanotechnology, 15. pp. 1440-1452. ISSN 2190-4286

Shlyaykher, A., Živković, A., Günther, H. et al. (3 more authors) (2024) Synthesis, XRD and DFT studies on Pb[ChCN] 2 (Ch = O, S, Se) and Pb[SeCN][OH]. Dalton Transactions. ISSN 1477-9226

Asadinamin, M., Živković, A., de Leeuw, N.H. orcid.org/0000-0002-8271-0545 et al. (1 more author) (2024) Role of Interfacial Morphology in Cu₂O/TiO₂ and Band Bending: Insights from Density Functional Theory. ACS Applied Materials & Interfaces, 16 (27). pp. 35781-35792. ISSN 1944-8244

Wang, X., Santos-Carballal, D. orcid.org/0000-0002-3199-9588 and de Leeuw, N.H. orcid.org/0000-0002-8271-0545 (2024) Cation doping and oxygen vacancies in the orthorhombic FeNbO4 material for solid oxide fuel cell applications: A density functional theory study. The Journal of Chemical Physics, 160 (15). 154713. ISSN 0021-9606

Rokade, A., Rahane, G.K. orcid.org/0000-0002-0502-3004, Živković, A. orcid.org/0000-0003-1347-6203 et al. (8 more authors) (2024) Fabrication of ZnO Scaffolded CdS Nanostructured Photoanodes with Enhanced Photoelectrochemical Water Splitting Activity under Visible Light. Langmuir, 40 (13). pp. 6884-6897. ISSN 0743-7463

Orangi, S., Kowsari, E., Mohammadizadeh Boghrabad, M. et al. (5 more authors) (2024) Investigating the efficacy of functionalized graphene oxide with polyhedral oligomeric silsesquioxane as an effective additive in sustainable ionic liquid-based electrolytes for dye-sensitized solar cells through experimental and DFT studies. Journal of Molecular Liquids, 397. 124057. ISSN 0167-7322

Jiang, K., Santos-Carballal, D. orcid.org/0000-0002-3199-9588, Liu, J. et al. (5 more authors) (2023) Experimental and theoretical studies of the mechanism of oxidation of arsenopyrite in the presence of hydrogen peroxide. Applied Surface Science, 637. 157673. p. 157673. ISSN 0169-4332

Chu, X., Santos-Carballal, D. orcid.org/0000-0002-3199-9588 and de Leeuw, N.H. orcid.org/0000-0002-8271-0545 (2023) Exploring the Redox Properties of the Low-Miller Index Surfaces of Copper Tungstate (CuWO₄): Evaluating the Impact of the Environmental Conditions on the Water Splitting and Carbon Dioxide Reduction Processes. The Journal of Physical Chemistry C, 127 (38). pp. 18944-18961. ISSN 1932-7447

Živković, A., Solsona-Delgado, V., van der Linden, B. et al. (2 more authors) (2023) Molecular-level understanding of interfacial carbonates in stabilizing CuO-ZnO(Al2O3) catalysts. Journal of Catalysis, 425. pp. 406-421. ISSN 0021-9517

Tafreshi, S.S., Taghizade, N., Sharifian, M. et al. (3 more authors) (2023) A density functional theory study of CO2 hydrogenation on carbon-terminated TaC (111) surface. Reaction Kinetics, Mechanisms and Catalysis, 136. pp. 1945-1963. ISSN 1878-5190

Nyepetsi, M. orcid.org/0000-0001-5537-5916, Mbaiwa, F. orcid.org/0000-0001-6727-4733, Oyetunji, O.A. orcid.org/0000-0001-8670-1104 et al. (2 more authors) (2023) The Carbonate-catalyzed Transesterification of Sunflower Oil for Biodiesel Production: in situ Monitoring and Density Functional Theory Calculations. South African Journal of Chemistry, 74. pp. 42-49. ISSN 0379-4350