Magnifying the morphology change induced by a nickel promoter in tungsten(IV) sulfide industrial hydrocracking catalyst : a HAADF-STEM and DFT study.

Maria Girleanu 1 Thibault Alphazan 2 Zoubeyr Boudene 2 Audrey Bonduelle-Skrzypczak 2 Christèle Legens 2 Anne-Sophie Gay 2 Christophe Copéret 3 Ovidiu Ersen 4 Pascal Raybaud 2
1 UNISTRA - Université de Strasbourg
2 IFPEN - IFP Energies nouvelles
3 ETH Zürich - Eidgenössische Technische Hochschule - Swiss Federal Institute of Technology in Zürich [Zürich]
4 IPCMS - Institut de Physique et Chimie des Matériaux de Strasbourg
Abstract : Changes in the two-dimensional (2D) morphology of nonpromoted WS2 and Ni-promoted WS2 (NiWS) catalytically active nanolayers supported on amorphous silica-alumina (ASA) are revealed by aberration-corrected scanning transmission electron microscopy and rationalized by density functional theory calculations. The presence of the Ni atoms modifies the triangular shape of nonpromoted WS2/ASA nanolayers into a more hexagonal one for NiWS/ASA by stabilizing the S edge more strongly than the W edge. The higher catalytic activity induced by the addition of the promoter confirms the relevance of such a morphology effect for industrial catalysts.
Keywords : density functional calculations electron microscopy hydrotreatment NiWS silica alumina
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Journal articles
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Submitted on : Monday, July 28, 2014 - 3:13:22 PM
Last modification on : Tuesday, March 5, 2019 - 9:30:11 AM

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Maria Girleanu, Thibault Alphazan, Zoubeyr Boudene, Audrey Bonduelle-Skrzypczak, Christèle Legens, et al.. Magnifying the morphology change induced by a nickel promoter in tungsten(IV) sulfide industrial hydrocracking catalyst : a HAADF-STEM and DFT study.. ChemCatChem, Wiley, 2014, 6 (6), pp.1594-1598. ⟨10.1002/cctc.201402115⟩. ⟨hal-01052710⟩

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