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  1. Article ; Online: Reversible and Irreversible Structural Changes in Cu/ZnO/ZrO

    Warmuth, Lucas / Steurer, Matthias / Schild, Dieter / Zimina, Anna / Grunwaldt, Jan-Dierk / Pitter, Stephan

    ACS applied materials & interfaces

    2024  Volume 16, Issue 7, Page(s) 8813–8821

    Abstract: The structure and chemical state of heterogeneous catalysts are closely related to their operational stability. Knowing these relationships as precisely as possible is thus essential for further catalyst development. This work focuses on the deactivation ...

    Abstract The structure and chemical state of heterogeneous catalysts are closely related to their operational stability. Knowing these relationships as precisely as possible is thus essential for further catalyst development. This work focuses on the deactivation of a Cu/ZnO/ZrO
    Language English
    Publishing date 2024-02-09
    Publishing country United States
    Document type Journal Article
    ISSN 1944-8252
    ISSN (online) 1944-8252
    DOI 10.1021/acsami.3c17383
    Database MEDical Literature Analysis and Retrieval System OnLINE

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  2. Article ; Online: Design of Single-Atom Catalysts and Tracking Their Fate Using

    Sarma, Bidyut Bikash / Maurer, Florian / Doronkin, Dmitry E / Grunwaldt, Jan-Dierk

    Chemical reviews

    2022  Volume 123, Issue 1, Page(s) 379–444

    Abstract: The potential ... ...

    Abstract The potential of
    MeSH term(s) X-Rays ; X-Ray Absorption Spectroscopy ; Spectrophotometry, Infrared ; Catalysis ; Electronics
    Language English
    Publishing date 2022-11-23
    Publishing country United States
    Document type Journal Article ; Review ; Research Support, Non-U.S. Gov't
    ZDB-ID 207949-5
    ISSN 1520-6890 ; 0009-2665
    ISSN (online) 1520-6890
    ISSN 0009-2665
    DOI 10.1021/acs.chemrev.2c00495
    Database MEDical Literature Analysis and Retrieval System OnLINE

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    In stock of ZB MED Bonn / Germany

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  3. Book ; Online ; Thesis: Revealing Porosity and Structure of Ni-based Catalysts for Dynamic CO$_2}$ Methanation with Hard X-rays

    Weber, Sebastian Verfasser] / [Grunwaldt, Jan-Dierk [Akademischer Betreuer] / Kohlmann, Holger [Akademischer Betreuer]

    2023  

    Author's details Sebastian Weber ; Jan-Dierk Grunwaldt, Holger Kohlmann
    Keywords Technische Chemie ; Technical Chemistry
    Subject code sg660
    Language English
    Publisher KIT-Bibliothek
    Publishing place Karlsruhe
    Document type Book ; Online ; Thesis
    Database Digital theses on the web

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  4. Article ; Online: Unlocking a Dual-Channel Pathway in CO

    Yang, Meng / Yu, Jiafeng / Zimina, Anna / Sarma, Bidyut Bikash / Grunwaldt, Jan-Dierk / Zada, Habib / Wang, Linkai / Sun, Jian

    Angewandte Chemie (International ed. in English)

    2023  Volume 63, Issue 4, Page(s) e202312292

    Abstract: Converting ... ...

    Abstract Converting CO
    Language English
    Publishing date 2023-11-29
    Publishing country Germany
    Document type Journal Article
    ZDB-ID 2011836-3
    ISSN 1521-3773 ; 1433-7851
    ISSN (online) 1521-3773
    ISSN 1433-7851
    DOI 10.1002/anie.202312292
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  5. Article ; Online: Probing the Nature of Zinc in Copper-Zinc-Zirconium Catalysts by Operando Spectroscopies for CO

    Yang, Meng / Yu, Jiafeng / Zimina, Anna / Sarma, Bidyut Bikash / Pandit, Lakshmi / Grunwaldt, Jan-Dierk / Zhang, Ling / Xu, Hengyong / Sun, Jian

    Angewandte Chemie (International ed. in English)

    2023  Volume 62, Issue 7, Page(s) e202216803

    Abstract: Active Zn species in Cu-based methanol synthesis catalysts have not been clearly identified yet due to their complex nature and dynamic structural changes during reactions. Herein, atomically dispersed Zn on ... ...

    Abstract Active Zn species in Cu-based methanol synthesis catalysts have not been clearly identified yet due to their complex nature and dynamic structural changes during reactions. Herein, atomically dispersed Zn on ZrO
    Language English
    Publishing date 2023-01-11
    Publishing country Germany
    Document type Journal Article
    ZDB-ID 2011836-3
    ISSN 1521-3773 ; 1433-7851
    ISSN (online) 1521-3773
    ISSN 1433-7851
    DOI 10.1002/anie.202216803
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  6. Article ; Online: Insights into the Structural Dynamics of Pt/CeO 2 Single-Site Catalysts during CO Oxidation

    Paolo Dolcet / Florian Maurer / Maria Casapu / Jan-Dierk Grunwaldt

    Catalysts, Vol 11, Iss 617, p

    2021  Volume 617

    Abstract: Despite their high atomic dispersion, single site catalysts with Pt supported on CeO 2 were found to have a low activity during oxidation reactions. In this study, we report the behavior of Pt/CeO 2 single site catalyst under more complex gas mixtures, ... ...

    Abstract Despite their high atomic dispersion, single site catalysts with Pt supported on CeO 2 were found to have a low activity during oxidation reactions. In this study, we report the behavior of Pt/CeO 2 single site catalyst under more complex gas mixtures, including CO, C 3 H 6 and CO/C 3 H 6 oxidation in the absence or presence of water. Our systematic operando high-energy resolution-fluorescence-detected X-ray absorption near-edge structure (HERFD-XANES) spectroscopic study combined with multivariate curve resolution with alternating least squares (MCR-ALS) analysis identified five distinct states in the Pt single site structure during CO oxidation light-off. After desorption of oxygen and autoreduction of Pt 4+ to Pt 2+ due to the increase of temperature, CO adsorbs and reduces Pt 2+ to Pt δ+ and assists its migration with final formation of Pt x Δ+ clusters. The derived structure–activity relationships indicate that partial reduction of Pt single sites is not sufficient to initiate the conversion of CO. The reaction proceeds only after the regrouping of several noble metal atoms in small clusters, as these entities are probably able to influence the mobility of the oxygen at the interface with ceria.
    Keywords Pt single sites ; operando ; CO oxidation ; X-ray absorption spectroscopy ; MCR-ALS ; Chemical technology ; TP1-1185 ; Chemistry ; QD1-999
    Subject code 333
    Language English
    Publishing date 2021-05-01T00:00:00Z
    Publisher MDPI AG
    Document type Article ; Online
    Database BASE - Bielefeld Academic Search Engine (life sciences selection)

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  7. Article ; Online: The Impact of Pressure and Hydrocarbons on NO x Abatement over Cu- and Fe-Zeolites at Pre-Turbocharger Position

    Deniz Zengel / Simon Barth / Maria Casapu / Jan-Dierk Grunwaldt

    Catalysts, Vol 11, Iss 3, p

    2021  Volume 336

    Abstract: Positioning the catalysts in front of the turbocharger has gained interest over recent years due to the earlier onset temperature and positive effect of elevated pressure. However, several challenges must be overcome, like presence of higher pollutant ... ...

    Abstract Positioning the catalysts in front of the turbocharger has gained interest over recent years due to the earlier onset temperature and positive effect of elevated pressure. However, several challenges must be overcome, like presence of higher pollutant concentrations due to the absence or insufficient diesel oxidation catalyst volume at this location. In this context, our study reports a systematic investigation on the effect of pressure and various hydrocarbons during selective catalytic reduction (SCR) of NO x with NH 3 over the zeolite-based catalysts Fe-ZSM-5 and Cu-SSZ-13. Using a high-pressure catalyst test bench, the catalytic activity of both zeolite catalysts was measured in the presence and absence of a variety of hydrocarbons under pressures and temperatures resembling the conditions upstream of the turbocharger. The results obtained showed that the hydrocarbons are incompletely converted over both catalysts, resulting in numerous byproducts. The emission of hydrogen cyanide seems to be particularly problematic. Although the increase in pressure was able to improve the oxidation of hydrocarbons and significantly reduce the formation of HCN, sufficiently low emissions could only be achieved at high temperatures. Regarding the NO x conversion, a boost in activity was obtained by increasing the pressure compared to atmospheric reaction conditions, which compensated the negative effect of hydrocarbons on the SCR activity.
    Keywords pre-turbo ; selective catalytic reduction ; NO x removal ; zeolites ; pressure ; hydrocarbons ; Chemical technology ; TP1-1185 ; Chemistry ; QD1-999
    Subject code 660
    Language English
    Publishing date 2021-03-01T00:00:00Z
    Publisher MDPI AG
    Document type Article ; Online
    Database BASE - Bielefeld Academic Search Engine (life sciences selection)

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  8. Book ; Online ; Thesis: Poröse Vanadiumcarbide und Carbid-abgeleitete Oxide als Katalysatoren für die oxidative Dehydrierung primärer Alkohole

    Oefner, Niklas [Verfasser] / Etzold, Bastian [Akademischer Betreuer] / Hess, Christian [Akademischer Betreuer] / Grunwaldt, Jan-Dierk [Akademischer Betreuer]

    2023  

    Author's details Niklas Oefner ; Bastian J. M. Etzold, Christian Hess, Jan-Dierk Grunwaldt
    Keywords Technische Chemie ; Technical Chemistry
    Subject code sg660
    Language German
    Publisher Universitäts- und Landesbibliothek
    Publishing place Darmstadt
    Document type Book ; Online ; Thesis
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  9. Article: Aqueous Phase Reforming over Platinum Catalysts on Doped Carbon Supports: Exploring Platinum-Heteroatom Interactions.

    Pazos Urrea, Monica / Meilinger, Simon / Herold, Felix / Gopakumar, Jithin / Tusini, Enrico / De Giacinto, Andrea / Zimina, Anna / Grunwaldt, Jan-Dierk / Chen, De / Rønning, Magnus

    ACS catalysis

    2024  Volume 14, Issue 6, Page(s) 4139–4154

    Abstract: A series of platinum catalysts supported on carbon nanofibers with various heteroatom dopings were synthesized to investigate the effect of the local platinum environment on the catalytic activity and selectivity in aqueous phase reforming (APR) of ... ...

    Abstract A series of platinum catalysts supported on carbon nanofibers with various heteroatom dopings were synthesized to investigate the effect of the local platinum environment on the catalytic activity and selectivity in aqueous phase reforming (APR) of ethylene glycol (EG). Typical carbon dopants such as oxygen, nitrogen, sulfur, phosphorus, and boron were chosen based on their ability to bring acidic or basic functional groups to the carbon surface. In situ X-ray absorption spectroscopy (XAS) was used to identify the platinum oxidation state and platinum species formed during APR of EG through multivariate curve resolution alternating least-squares analysis, observing differences in activity, selectivity, and platinum local environment among the catalysts. The platinum-based catalyst on the nitrogen-doped carbon support demonstrated the most favorable properties for H
    Language English
    Publishing date 2024-03-04
    Publishing country United States
    Document type Journal Article
    ISSN 2155-5435
    ISSN 2155-5435
    DOI 10.1021/acscatal.3c05385
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  10. Article ; Online: Fundamental Structural and Electronic Understanding of Palladium Catalysts on Nitride and Oxide Supports.

    Huang, Junhao / Klahn, Marcus / Tian, Xinxin / Bartling, Stephan / Zimina, Anna / Radtke, Martin / Rockstroh, Nils / Naliwajko, Pawel / Steinfeldt, Norbert / Peppel, Tim / Grunwaldt, Jan-Dierk / Logsdail, Andrew J / Jiao, Haijun / Strunk, Jennifer

    Angewandte Chemie (International ed. in English)

    2024  , Page(s) e202400174

    Abstract: The nature of the support can fundamentally affect the function of a heterogeneous catalyst. For the novel type of isolated metal atom catalysts, sometimes referred to as single-atom catalysts, systematic correlations are still rare. Here, we report a ... ...

    Abstract The nature of the support can fundamentally affect the function of a heterogeneous catalyst. For the novel type of isolated metal atom catalysts, sometimes referred to as single-atom catalysts, systematic correlations are still rare. Here, we report a general finding that Pd on nitride supports (non-metal and metal nitride) features a higher oxidation state compared to that on oxide supports (non-metal and metal oxide). Through thorough oxidation state investigations by X-ray absorption spectroscopy (XAS), X-ray photoelectron spectroscopy (XPS), CO-DRIFTS, and density functional theory (DFT) coupled with Bader charge analysis, it is found that Pd atoms prefer to interact with surface hydroxyl group to form a Pd(OH)
    Language English
    Publishing date 2024-03-11
    Publishing country Germany
    Document type Journal Article
    ZDB-ID 2011836-3
    ISSN 1521-3773 ; 1433-7851
    ISSN (online) 1521-3773
    ISSN 1433-7851
    DOI 10.1002/anie.202400174
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