Bimetallic catalyst knowledge-based development for energy applications

Deliverables

Document establishing the supervisory board and defining the way of working

D81 Call publication Publication of the call for the ESRs on selected websites and through personal contacts Month 2 D82 Publication Publication of the applications selected after the two steps ranking evaluation Month 5 D83 ESRs Recruitment Recruitment of the selected 14 ESRs with full employment contracts Month 6

Setting up of the supervisory board.

Complete Supervisory Board ie including two representatives elected by the ESRs assembly will be set up after first ESRs Assembly to be held at month 8 during Project Start Meeting

Publications

Rapid mapping of alloy surface phase diagrams via Bayesian evolutionary multitasking

Author(s): Shuang Han; Steen Lysgaard; Tejs Vegge; Heine Anton Hansen
Published in: npj Computational Materials, Issue 9, 2023, Page(s) 139, ISSN 2057-3960
Publisher: Springer Nature
DOI: 10.1038/s41524-023-01087-4

Unveiling the synergistic effects of pH and Sn content for tuning the catalytic performance of Ni0/NixSny intermetallic compounds dispersed on Ce-Zr mixed oxides in the aqueous phase reforming of ethylene glycol

Author(s): Consolato Rosmini, Monica Pazos Urrea, Enrico Tusini, Sylvio Indris, Daniela Kovacheva, Daniela Karashanova, Hristo Kolev, Anna Zimina, Jan-Dierk Grunwaldt, Magnus Rønning, Momtchil Dimitrov, Margarita Popova
Published in: Applied Catalysis B: Environment and Energy, 2024, ISSN 0926-3373
Publisher: Elsevier BV
DOI: 10.1016/j.apcatb.2024.123904

Formation of Catalytic Active Sites in Hydrothermally Obtained Binary Ceria–Iron Oxides: Composition and Preparation Effects

Author(s): Tanya Tsoncheva, Consolato Rosmini, Momtchil Dimitrov, Gloria Issa, Jiri Henych, Zuzana Němečková, Daniela Kovacheva, Nikolay Velinov, Genoveva Atanasova, Ivanka Spassova
Published in: ACS Applied Materials & Interfaces, Issue 13/1, 2021, Page(s) 1838-1852, ISSN 1944-8244
Publisher: American Chemical Society
DOI: 10.1021/acsami.0c16326

Methane Reforming Processes: Advances on Mono- and Bimetallic Ni-Based Catalysts Supported on Mg-Al Mixed Oxides

Author(s): Soroosh Saeedi; Xuan Trung Nguyen; Filippo Bossola; Claudio Evangelisti; Vladimiro Dal Santo
Published in: Catalysts, 2023, ISSN 2073-4344
Publisher: Multidisciplinary Digital Publishing Institute (MDPI)
DOI: 10.3390/catal13020379

Discovering indium as hydrogen production booster for a Cu/SiO2 catalyst in steam reforming of methanol

Author(s): Filippo Bossola; Thantip Roongcharoen; Mauro Coduri; Claudio Evangelisti; Ferenc Somodi; Luca Sementa; Alessandro Fortunelli; Vladimiro Dal Santo
Published in: Applied Catalysis B, Environmental, 2021, ISSN 0926-3373
Publisher: Elsevier BV
DOI: 10.1016/j.apcatb.2021.120398

Unfolding the structural stability of nanoalloys via symmetry-constrained genetic algorithm and neural network potential

Author(s): Shuang Han; Giovanni Barcaro; Alessandro Fortunelli; Steen Lysgaard; Tejs Vegge; Heine Anton Hansen
Published in: npj Computational Materials, Issue 8, 2022, Page(s) 121, ISSN 2057-3960
Publisher: Springer Nature
DOI: 10.1038/s41524-022-00807-6

Mechanisms of the Oxygen Evolution Reaction on NiFe2O4 and CoFe2O4 Inverse-Spinel Oxides

Author(s): Avci O. N., Sementa L., Fortunelli. A.
Published in: ACS Catalysis, Issue 12(15), 2022, Page(s) 9058-9073, ISSN 2155-5435
Publisher: American Chemical Society
DOI: 10.1021/acscatal.2c01534

Oxidation and de-alloying of PtMn particle models: a computational investigation

Author(s): 13. Roongcharoen T., Yang X., Han S., Sementa L., Vegge T., Hansen H. A., Fortunelli A.
Published in: Faraday Discussions, Issue 242, 2023, Page(s) 174-192, ISSN 1359-6640
Publisher: Royal Society of Chemistry
DOI: 10.1039/d2fd00107a

Mesoporous Ce-Fe-Ni Nanocomposites Encapsulated in Carbon-Nanofibers: Synthesis, Characterization and Catalytic Behavior in Oxygen Evolution Reaction

Author(s): Consolato Rosmini; Tanya Tsoncheva; Daniela Kovatcheva; Nikolay Velinov; Hristo Kolev; Daniela Karashanova; Momtchil Dimitrov; Boyko Tsyntsarski; David Sebastián; María Jesús Lázaro
Published in: Carbon, Issue 196, 2022, Page(s) 186-202., ISSN 0008-6223
Publisher: Pergamon Press Ltd.

Nitrogen-containing carbon nanofibers as supports for bimetallic Pt-Mn catalysts in aqueous phase reforming of ethylene glycol

Author(s): Monica Pazos Urrea; Felix Herold; De Chen; Magnus Rønning
Published in: Catalysis Today, Issue 418, 2023, Page(s) 114066, ISSN 0920-5861
Publisher: Elsevier BV
DOI: 10.1016/j.cattod.2023.114066

Nickel-Decorated Mesoporous Iron–Cerium Mixed Oxides: Microstructure and Catalytic Activity in Methanol Decomposition

Author(s): Tanya Tsoncheva; Consolato Rosmini; Mihail Mihaylov; Jiří Henych; Kristina Chakarova; Nikolay Velinov; Daniela Kovacheva; Zuzana Němečková; Martin Kormunda; Radostina Ivanova; Ivanka Spassova; Konstantin Hadjiivanov
Published in: ACS Appl. Mater. Interfaces, Issue 14, 2021, Page(s) 873–890, ISSN 1944-8244
Publisher: American Chemical Society
DOI: 10.1021/acsami.1c19584

Atomistic Modeling of Spinel Oxide Particle Shapes and Reshaping under OER Conditions

Author(s): Avci, Ö. N., Sementa L., Fortunelli. A.
Published in: Physchem, Issue 4(1), 2024, Page(s) 43-60, ISSN 2673-7167
Publisher: MPDI
DOI: 10.3390/physchem4010004

Bimetallic NiFe nanoparticles supported on CeO2 as catalysts for methane steam reforming

Author(s): Andrea Braga Marina Armengol Profitós Xavier Vendrell Villafruela Lluís Soler Turu Ignacio J. Villar García Virginia Pérez Dieste Núria J. Divins Jordi Llorca
Published in: ACS Applied Nano Materials, 2023, ISSN 2574-0970
Publisher: American Chemical Society
DOI: 10.1021/acsanm.3c00104

Algorithms for accelerating the optimization of alloy catalysts

Author(s): Shuang Han
Published in: 2022
Publisher: Technical University of Denmark

Deliverables

Publications

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