A DFT+U-D3 Study of the Adsorption of Hydrogen Fluoride and Ethylene Carbonate on the Niobium-Doped (001), (011), and (111) Surfaces of Lithium Manganese Oxide

Autor: Ramogayana, B, Santos-Carballal, D, Maenetja, KP, malatji, KT, De Leeuw, NH, Ngoepe, P

Cationic doping has played an important role in the improvement and development of more efficient cathode materials for secondary lithium-ion batteries. In lithium manganese oxides, it was recommended as one of the most effective methods of reducing

Externí odkaz: https://explore.openaire.eu/search/publication?articleId=core_ac_uk__::144e15e3e3e7533d10823977b4c7518d

Al2O3/ZnO Heterostructure-Based Sensors for Volatile Organic Compounds in Safety Applications

Autor: Lupan, O., Santos-Carballal, D., Magariu, N., Mishra, A.K., Ababii, N., Krüger, H., Wolff, N., Vahl, A., Bodduluri, Mani Teja, Kohlmann, N., Kienle, L., Adelung, R., Leeuw, N.H. de, Hansen, S.

Monitoring volatile organic compounds (VOCs) in harsh environments, especially for safety applications, is a growing field that requires specialized sensor structures. In this work, we demonstrate the sensing properties toward the most common VOCs of

Externí odkaz: https://explore.openaire.eu/search/publication?articleId=dedup_wf_001::92acdbfee3e376609383b9cc138667ee
https://dspace.library.uu.nl/handle/1874/421821

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Controlling the Lithium Intercalation Voltage in the Li(Mn1-xNix)₂O₄ Spinel via Tuning of the Ni Concentration: a Density Functional Theory Study

Autor: Malatji, KT, Santos-Carballal, D, Terranova, U, Ngoepe, PE, De Leeuw, NH

LiMn2O4 spinel is a promising cathode material for secondary lithium-ion batteries. Despite showing a high average voltage of lithium intercalation, the material is structurally unstable, undergoing lowering of the crystal symmetry due to Jahn-Teller

Externí odkaz: https://explore.openaire.eu/search/publication?articleId=core_ac_uk__::98c378a72967c12168ffea0e13d99780
https://eprints.whiterose.ac.uk/170222/7/06.pdf

Insight into the nature of iron sulfide surfaces during the electrochemical hydrogen evolution and CO2 reduction reactions

Autor: Zakaria, SNA, Hollingsworth, N, Islam, HU, Roffey, A, Santos-Carballal, D, Roldan, A, Bras, W, Sankar, G, Hogarth, G, Holt, KB, de Leeuw, NH

Publikováno v: 'ACS Applied Materials & Interfaces ', vol: 10, pages: 32078-32085 (2018)
ACS Applied Materials & Interfaces
ACS Applied Materials & Interfaces, Washington, D.C. : American Chemical Society, 2018, 10 (38), pp.32078-32085. ⟨10.1021/acsami.8b08612⟩

International audience; Greigite and other iron sulfides are potential, cheap, earth-abundant electrocatalysts for the hydrogen evolution reaction (HER), yet little is known about the underlying surface chemistry. Structural and chemical changes to a

Externí odkaz: https://explore.openaire.eu/search/publication?articleId=dedup_wf_001::f250ff9a1cb893f3f072b413c8c2663b
https://epn-library.esrf.fr/flora/jsp/index_view_direct_anonymous.jsp?record=doc:PUB_ESRF:51620