Search Results - "Nora H. de Leeuw"

Strongly‐Confined CsPbBr3 Perovskite Quantum Dots with Ultralow Trap Density and Narrow Size Distribution for Efficient Pure‐Blue Light‐Emitting Diodes by Wei, Shibo, Hu, Jingcong, Bi, Chenghao, Ren, Ke, Wang, Xingyu, de Leeuw, Nora H., Lu, Yue, Sui, Manling, Wang, Wenxin

“…The development of pure‐blue perovskite light‐emitting diodes (PeLEDs) faces challenges of spectral stability and low external quantum efficiency (EQE) due to…”
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The Origin of High Activity of Amorphous MoS2 in the Hydrogen Evolution Reaction by Wu, Longfei, Longo, Alessandro, Dzade, Nelson Y., Sharma, Akhil, Hendrix, Marco M. R. M., Bol, Ageeth A., Leeuw, Nora H., Hensen, Emiel J. M., Hofmann, Jan P.

“…Molybdenum disulfide (MoS2) and related transition metal chalcogenides can replace expensive precious metal catalysts such as Pt for the hydrogen evolution…”
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Reduction of Carbon Dioxide to Formate at Low Overpotential Using a Superbase Ionic Liquid by Hollingsworth, Nathan, Taylor, S. F. Rebecca, Galante, Miguel T., Jacquemin, Johan, Longo, Claudia, Holt, Katherine B., de Leeuw, Nora H., Hardacre, Christopher

“…A new low‐energy pathway is reported for the electrochemical reduction of CO2 to formate and syngas at low overpotentials, utilizing a reactive ionic liquid as…”
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A DFT Study of Alkaline Earth Metal-Doped FAPbI3 (111) and (100) Surfaces by RaeisianAsl, Maryam, Sarabadani Tafreshi, Saeedeh, de Leeuw, Nora H.

“…Density functional theory calculations have been performed to study the effect of replacing lead by alkaline earth metals on the stability, electronic and…”
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Strongly-Confined CsPbBr 3 Perovskite Quantum Dots with Ultralow Trap Density and Narrow Size Distribution for Efficient Pure-Blue Light-Emitting Diodes by Wei, Shibo, Hu, Jingcong, Bi, Chenghao, Ren, Ke, Wang, Xingyu, de de Leeuw, Nora H, Lu, Yue, Sui, Manling, Wang, Wenxin

“…The development of pure-blue perovskite light-emitting diodes (PeLEDs) faces challenges of spectral stability and low external quantum efficiency (EQE) due to…”
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A Density Functional Theory Study of the Adsorption of Benzene on Hematite (α-Fe2O3) Surfaces by Nelson Y. Dzade, Alberto Roldan, Nora H. de Leeuw

“…The reactivity of mineral surfaces in the fundamental processes of adsorption, dissolution or growth, and electron transfer is directly tied to their atomic…”
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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 by Sejie, Fortunate P., Oyetunji, Olayinka A., Darkwa, James, Beas, Isaac N., Makhubela, Banothile C. E., Dzade, Nelson Y., de Leeuw, Nora H.

“…The imino pyridine Schiff base cobalt(II) and nickel(II) complexes (C1 and C2) and their functionalised γ-Fe3O4 counterparts (Fe3O4@C1 and Fe3O4@C2) were…”
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CuO Surfaces and CO2 Activation: A Dispersion-Corrected DFT+U Study by Mishra, Abhishek Kumar, Roldan, Alberto, de Leeuw, Nora H

“…We have used computational methodology based on the density functional theory to describe both copper­(I) and copper­(II) oxides, followed by the investigation…”
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Understanding the role of zinc dithiocarbamate complexes as single source precursors to ZnS nanomaterials by Islam, Husn-Ubayda, Roffey, Anna, Hollingsworth, Nathan, Bras, Wim, Sankar, Gopinathan, De Leeuw, Nora H, Hogarth, Graeme

“…Zinc sulfide is an important wide-band gap semi-conductor and dithiocarbamate complexes [Zn(S 2 CNR 2 ) 2 ] find widespread use as single-source precursors for…”
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DFT+U study of the structures and properties of the actinide dioxides by Pegg, James T., Aparicio-Anglès, Xavier, Storr, Mark, de Leeuw, Nora H.

“…The actinide oxides play a vital role in the nuclear fuel cycle. For systems where current experimental measurements are difficult, computational techniques…”
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First Steps towards Understanding the Non-Linear Impact of Mg on Calcite Solubility: A Molecular Dynamics Study by Janou A. Koskamp, Sergio E. Ruiz Hernandez, Nora H. De Leeuw, Mariette Wolthers

“…Magnesium (Mg2+) is one of the most common impurities in calcite and is known to have a non-linear impact on the solubility of magnesian calcites. Using…”
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A highly reactive precursor in the iron sulfide system by Matamoros-Veloza, Adriana, Cespedes, Oscar, Johnson, Benjamin R. G., Stawski, Tomasz M., Terranova, Umberto, de Leeuw, Nora H., Benning, Liane G.

“…Iron sulfur (Fe–S) phases have been implicated in the emergence of life on early Earth due to their catalytic role in the synthesis of prebiotic molecules…”
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Computational Study of NaVOPO4 Polymorphs as Cathode Materials for Na-Ion Batteries: Diffusion, Electronic Properties, and Cation-Doping Behavior by Aparicio, Pablo A, Dawson, James A, Islam, M. Saiful, de Leeuw, Nora H

“…Rechargeable sodium-ion batteries have gained considerable interest as potential alternatives to lithium-ion batteries, owing to their low cost and the wide…”
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Reactivity of CO2 on the surfaces of magnetite (Fe₃O₄), greigite (Fe₃S₄) and mackinawite (FeS) by Santos-Carballal, David, Roldan, Alberto, Dzade, Nelson Y., de Leeuw, Nora H.

“…The growing environmental, industrial and commercial interests in understanding the processes of carbon dioxide (CO₂) capture and conversion have led us to…”
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Density Functional Theory Study of the Adsorption of Hydrazine on the Perfect and Defective Copper (100), (110), and (111) Surfaces by Tafreshi, Saeedeh S, Roldan, Alberto, de Leeuw, Nora H

“…We have calculated the adsorption of the reducing agent hydrazine (N2H4) on copper surfaces using density functional theory calculations with a correction for…”
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Structural and Optical Properties of ZnO Thin Films Prepared by Molecular Precursor and Sol–Gel Methods by Amakali, Theopolina, Daniel, Likius. S., Uahengo, Veikko, Dzade, Nelson Y., de Leeuw, Nora H.

“…Zinc oxide (ZnO) is a versatile and inexpensive semiconductor with a wide direct band gap that has applicability in several scientific and technological…”
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Development of 2‑in‑1 Sensors for the Safety Assessment of Lithium-Ion Batteries via Early Detection of Vapors Produced by Electrolyte Solvents by Lupan, Oleg, Magariu, Nicolae, Santos-Carballal, David, Ababii, Nicolai, Offermann, Jakob, Pooker, Pia, Hansen, Sandra, Siebert, Leonard, de Leeuw, Nora H., Adelung, Rainer

“…Batteries play a critical role in achieving zero-emission goals and in the transition toward a more circular economy. Ensuring battery safety is a top priority…”
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A Density Functional Theory Study of the Physico-Chemical Properties of Alkali Metal Titanate Perovskites for Solar Cell Applications by Jouybar, Shirzad, Naji, Leila, Sarabadani Tafreshi, Saeedeh, de Leeuw, Nora H

“…The urgent need to shift from non-renewable to renewable energy sources has caused widespread interest in photovoltaic technologies that allow us to harness…”
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Tautomerization of Phenol at the External Lewis Acid Sites of Scandium‑, Iron- and Gallium-Substituted Zeolite MFI by Hernandez-Tamargo, Carlos, Roldan, Alberto, de Leeuw, Nora H

“…We have employed density functional theory calculations to analyze the possible tautomerization of phenol mediated by three different Lewis acid sites at the…”
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Adsorbate-Induced Segregation of Cobalt from PtCo Nanoparticles: Modeling Au Doping and Core AuCo Alloying for the Improvement of Fuel Cell Cathode Catalysts by Farkaš, Barbara, Perry, Christopher B, Jones, Glenn, de Leeuw, Nora H

“…Platinum, when used as a cathode material for the oxygen reduction reaction, suffers from high overpotential and possible dissolution, in addition to the…”
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