Search Results - "TOPSØE, Henrik"
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Atomic-Scale Edge Structures on Industrial-Style MoS2 Nanocatalysts
Published in Angewandte Chemie International Edition (17-10-2011)“…Atoms on the edge: The atomic edge structure of industrial‐style MoS2 nanocatalysts was imaged using single‐atom sensitive electron microscopy (see picture)…”
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Location of Co and Ni promoter atoms in multi-layer MoS2 nanocrystals for hydrotreating catalysis
Published in Catalysis today (01-03-2016)“…•Industrial-style hydrotreating catalysts are examined by STEM-EEL spectrum imaging.•Element maps resolve Co and Ni atoms at edges of multi-layer MoS2…”
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Location and coordination of promoter atoms in Co-and Ni-promoted MoS2-based hydrotreating catalysts
Published in Journal of catalysis (25-07-2007)“…In this study, we used scanning tunneling microscopy (STM) and density functional theory (DFT) to investigate the atomic-scale structure of the active Co- or…”
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Atomic-scale insight into adsorption of sterically hindered dibenzothiophenes on MoS2 and Co–Mo–S hydrotreating catalysts
Published in Journal of catalysis (01-11-2012)“…With scanning tunneling microscopy (STM), we investigate the atomic-scale adsorption of the sulfur containing molecules DBT and 4,6-DMDBT on MoS2-based…”
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Comparative atomic-scale analysis of promotional effects by late 3d-transition metals in MoS2 hydrotreating catalysts
Published in Journal of catalysis (15-06-2010)“…Using scanning tunneling microscopy (STM) and reactivity measurements, we determine a correlation between the atomic structure of transition metal-doped…”
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Atom-Resolved Imaging of Dynamic Shape Changes in Supported Copper Nanocrystals
Published in Science (American Association for the Advancement of Science) (15-03-2002)“…In situ transmission electron microscopy is used to obtain atom-resolved images of copper nanocrystals on different supports. These are catalysts for methanol…”
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The hydrogenation and direct desulfurization reaction pathway in thiophene hydrodesulfurization over MoS2 catalysts at realistic conditions : A density functional study
Published in Journal of catalysis (10-06-2007)“…We present density functional theory (DFT) calculations of reaction pathways for both the hydrogenation (HYD) and direct desulfurization (DDS) routes in the…”
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Mesoporous zeolite single crystal catalysts: Diffusion and catalysis in hierarchical zeolites
Published in Catalysis today (30-10-2007)“…During the last years, several new routes to produce zeolites with controlled mesoporosity have appeared. Moreover, an improved catalytic performance of the…”
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Trends in Hydrodesulfurization Catalysis Based on Realistic Surface Models
Published in Catalysis letters (01-08-2014)“…Trends in hydrodesulfurization (HDS) activity are investigated on the basis of surface properties calculated by density functional theory for a series of HDS…”
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Imaging MoS₂ Nanocatalysts with Single-Atom Sensitivity
Published in Angewandte Chemie (International ed.) (01-04-2010)“…Close up: The atomic arrangement of industrial‐style MoS2 nanocatalysts can be scrutinized by using single‐atom‐sensitive electron microscopy (see picture)…”
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The role of Co–Mo–S type structures in hydrotreating catalysts
Published in Applied catalysis. A, General (16-04-2007)“…The Co–Mo–S model is used widely to understand and control the catalytic properties of hydrotreating catalysts. Depending on the nature of the support…”
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A Density Functional Study of the Chemical Differences between Type I and Type II MoS2-Based Structures in Hydrotreating Catalysts
Published in The journal of physical chemistry. B (17-02-2005)“…Density functional theory is used to investigate the origin of the activity differences between Type I and Type II MoS2-based structures in hydrotreating…”
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Atomic-scale insight into the origin of pyridine inhibition of MoS2-based hydrotreating catalysts
Published in Journal of catalysis (04-05-2010)“…Inhibition of catalytic hydrodesulfurization activity is related to pyridinium species that are directly observed to adsorb strongly on the edges of MoS2…”
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atomic-scale investigation of carbon in MoS₂ hydrotreating catalysts sulfided by organosulfur compounds
Published in Journal of catalysis (25-07-2011)“…From an interplay of Scanning Tunneling Microscopy (STM), X-ray Photoelectron Spectroscopy (XPS) experiments, and density functional theory (DFT) calculations,…”
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Catalyst and process technologies for ultra low sulfur diesel
Published in Applied catalysis. A, General (06-12-1999)“…The production of clean diesel by hydrotreating and deep hydrodesulfurization (HDS) has attracted increased attention recently due to the introduction of new…”
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The role of reaction pathways and support interactions in the development of high activity hydrotreating catalysts
Published in Catalysis today (30-10-2005)“…Scanning tunneling microscopy (STM) investigations have recently provided the first atom-resolved images of reaction intermediates in the key steps of the…”
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Journal Article Conference Proceeding -
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Structure sensitivity of supported ruthenium catalysts for ammonia synthesis
Published in Journal of molecular catalysis. A, Chemical (04-12-2000)“…The catalytic ammonia synthesis activities of four supported ruthenium catalysts are reported. It is seen that Ru/MgAl 2O 4 is more active than two similar…”
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DFT Calculations of Unpromoted and Promoted MoS2-Based Hydrodesulfurization Catalysts
Published in Journal of catalysis (01-10-1999)“…Self-consistent density functional theory (DFT) is used to study the structure and active sites in unpromoted and promoted MoS2-based hydrodesulfurization…”
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A density functional study of inhibition of the HDS hydrogenation pathway by pyridine, benzene, and H2S on MoS2-based catalysts
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