Items where authors include "Dzade, NY"

Article

Sejie, FP, Oyetunji, OA, Darkwa, J et al. (4 more authors) (2023) The Transfer Hydrogenation of Cinnamaldehyde Using Homogeneous Cobalt(II) and Nickel(II) (E)-1-(Pyridin-2-yl)-N-(3-(triethoxysilyl)propyl)methanimine and the Complexes Anchored on Fe3O4 Support as Pre-Catalysts: An Experimental and In Silico Approach. Molecules, 28 (2). 659. ISSN 1420-3049

Amakali, T, Živković, A, Warwick, MEA et al. (7 more authors) (2022) Photocatalytic degradation of Rhodamine B dye and hydrogen evolution by hydrothermally synthesized NaBH4 -spiked ZnS nanostructures. Frontiers in Chemistry, 10. 835832. ISSN 2296-2646

Farkaš, B, Živković, A, Uahengo, V et al. (2 more authors) (2022) First-Principles DFT Insights into the Stabilization of Zinc Diphosphide (ZnP2) Nanocrystals via Surface Functionalization by 4-Aminothiophenol for Photovoltaic Applications. ACS Applied Energy Materials, 5 (2). pp. 2318-2328. ISSN 2574-0962

Rondiya, SR, Jadhav, YA, Živković, A et al. (11 more authors) (2022) Solution-Processed Cd-Substituted CZTS Nanocrystals for Sensitized Liquid Junction Solar Cells. Journal of Alloys and Compounds, 890. 161575. ISSN 0925-8388

Farkaš, B, Živković, A, Uahengo, V et al. (2 more authors) (2021) Insights from density functional theory calculations into the effects of the adsorption and dissociation of water on the surface properties of zinc diphosphide (ZnP2) nanocrystals. Physical Chemistry Chemical Physics. ISSN 1463-9076

Živković, A, Sheehama, J, Warwick, MEA et al. (8 more authors) (2021) Structural and electronic properties of Cu₄O₃ (paramelaconite): the role of native impurities. Pure and Applied Chemistry, 93 (10). pp. 1229-1244. ISSN 0033-4545

Pei, GX, Dzade, NY, Zhang, Y et al. (3 more authors) (2021) Identification of Photoexcited Electron Relaxation in a Cobalt Phosphide Modified Carbon Nitride Photocatalyst. Chemphotochem, 5 (4). pp. 330-334. ISSN 2367-0932

Dzade, NY and De Leeuw, NH orcid.org/0000-0002-8271-0545 (2021) Activating the FeS (001) Surface for CO₂ Adsorption and Reduction through the Formation of Sulfur Vacancies: A DFT-D3 Study. Catalysts, 11 (1). 127. ISSN 2073-4344

Nyepetsi, M, Mbaiwa, F, Oyetunji, OA et al. (2 more authors) (2021) The Carbonate-Catalysed 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

Botchway, CH, Tia, R, Adei, E et al. (2 more authors) (2021) H-FER-Catalysed Conversion of Methanol to Ethanol and Dimethyl Ether: A First-Principles DFT Study. South African Journal of Chemistry, 74. pp. 30-35. ISSN 0379-4350

Botchway, CH, Tia, R, Adei, E et al. (4 more authors) (2020) Influence of Topology and Brønsted Acid Site Presence on Methanol Diffusion in Zeolites Beta and MFI. Catalysts, 10 (11). 1342. ISSN 2073-4344

Oropeza, FE, Dzade, NY, Pons-Martí, A et al. (5 more authors) (2020) Electronic Structure and Interface Energetics of CuBi2O4 Photoelectrodes. The Journal of Physical Chemistry C, 124 (41). pp. 22416-22425. ISSN 1932-7447

Wu, L, Dzade, NY, Chen, N et al. (9 more authors) (2020) Cu Electrodeposition on Nanostructured MoS2 and WS2 and Implications for HER Active Site Determination. Journal of Electrochemical Society, 167. 116517. ISSN 0013-4651

Amakali, T, Daniel, LS, Uahengo, V et al. (2 more authors) (2020) Structural and Optical Properties of ZnO Thin Films Prepared by Molecular Precursor and Sol–Gel Methods. Crystals, 10 (2). p. 132. ISSN 2073-4352

Wu, L, Longo, A, Dzade, NY et al. (6 more authors) (2019) The Origin of High Activity of Amorphous MoS2 in the Hydrogen Evolution Reaction. ChemSusChem, 12 (19). pp. 4383-4389. ISSN 1864-5631

Wu, L, Dzade, NY, Yu, M et al. (6 more authors) (2019) Unraveling the Role of Lithium in Enhancing the Hydrogen Evolution Activity of MoS2: Intercalation versus Adsorption. ACS Energy Letters, 4 (7). pp. 1733-1740. ISSN 2380-8195

Živković, A, Farkaš, B, Uahengo, V et al. (2 more authors) (2019) First-principles DFT insights into the structural, elastic, and optoelectronic properties of α and β-ZnP2: implications for photovoltaic applications. Journal of Physics: Condensed Matter, 31 (26). 265501. ISSN 0953-8984

Wu, L, van Hoof, AJF, Dzade, NY et al. (6 more authors) (2019) Enhancing the electrocatalytic activity of 2H-WS2 for hydrogen evolution via defect engineering. Physical Chemistry Chemical Physics, 21 (11). pp. 6071-6079. ISSN 1463-9076

Aniagyei, A, Dzade, NY, Tia, R et al. (3 more authors) (2018) Ab initio investigation of O2 adsorption on Ca-doped LaMnO3 cathodes in solid oxide fuel cells. Physical Chemistry Chemical Physics, 20 (45). pp. 28685-28698. ISSN 1463-9076

Dzade, NY and de Leeuw, NH orcid.org/0000-0002-8271-0545 (2018) Density functional theory characterization of the structures of H3AsO3 and H3AsO4 adsorption complexes on ferrihydrite. Environmental Science: Processes & Impacts, 20 (6). pp. 977-987. ISSN 2050-7887

Santos-Carballal, D orcid.org/0000-0002-3199-9588, Roldan, A, Dzade, NY et al. (1 more author) (2018) Reactivity of CO₂on the surfaces of magnetite (Fe₃O₄), greigite (Fe₃S₄) and mackinawite (FeS). Philosophical Transactions of the Royal Society A: Mathematical, Physical and Engineering Sciences, 376 (2110). 20170065. ISSN 1364-503X

Dzade, NY and de Leeuw, NH orcid.org/0000-0002-8271-0545 (2018) Adsorption and Desulfurization Mechanism of Thiophene on Layered FeS(001), (011), and (111) Surfaces: A Dispersion-Corrected Density Functional Theory Study. The Journal of Physical Chemistry C, 122 (1). pp. 359-370. ISSN 1932-7447

Dzade, NY and de Leeuw, NH orcid.org/0000-0002-8271-0545 (2017) Periodic DFT+U investigation of the bulk and surface properties of marcasite (FeS2). Physical Chemistry Chemical Physics, 19 (40). pp. 27478-27488. ISSN 1463-9076

Kwawu, CR, Tia, R, Adei, E et al. (3 more authors) (2017) CO2 activation and dissociation on the low miller index surfaces of pure and Ni-coated iron metal: a DFT study. Physical Chemistry Chemical Physics, 19 (29). pp. 19478-19486. ISSN 1463-9076

Dzade, NY, Roldan, A and de Leeuw, NH orcid.org/0000-0002-8271-0545 (2017) Structures and Properties of As(OH)3 Adsorption Complexes on Hydrated Mackinawite (FeS) Surfaces: A DFT-D2 Study. Environmental Science & Technology, 51 (6). pp. 3461-3470. ISSN 0013-936X

Wu, L, Dzade, NY, Gao, L et al. (7 more authors) (2016) Enhanced Photoresponse of FeS₂ Films: The Role of Marcasite-Pyrite Phase Junctions. Advanced Materials, 28 (43). pp. 9602-9607. ISSN 0935-9648

Dzade, NY, Roldan, A and de Leeuw, NH orcid.org/0000-0002-8271-0545 (2016) DFT-D2 simulations of water adsorption and dissociation on the low-index surfaces of mackinawite (FeS). The Journal of Chemical Physics, 144 (17). 174704. ISSN 0021-9606