Bimetallic catalyst knowledge-based development for energy applications

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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

Auteurs: Shuang Han; Steen Lysgaard; Tejs Vegge; Heine Anton Hansen
Publié dans: npj Computational Materials, Numéro 9, 2023, Page(s) 139, ISSN 2057-3960
Éditeur: 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

Auteurs: 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
Publié dans: Applied Catalysis B: Environment and Energy, 2024, ISSN 0926-3373
Éditeur: 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

Auteurs: Tanya Tsoncheva, Consolato Rosmini, Momtchil Dimitrov, Gloria Issa, Jiri Henych, Zuzana Němečková, Daniela Kovacheva, Nikolay Velinov, Genoveva Atanasova, Ivanka Spassova
Publié dans: ACS Applied Materials & Interfaces, Numéro 13/1, 2021, Page(s) 1838-1852, ISSN 1944-8244
Éditeur: 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

Auteurs: Soroosh Saeedi; Xuan Trung Nguyen; Filippo Bossola; Claudio Evangelisti; Vladimiro Dal Santo
Publié dans: Catalysts, 2023, ISSN 2073-4344
Éditeur: 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

Auteurs: Filippo Bossola; Thantip Roongcharoen; Mauro Coduri; Claudio Evangelisti; Ferenc Somodi; Luca Sementa; Alessandro Fortunelli; Vladimiro Dal Santo
Publié dans: Applied Catalysis B, Environmental, 2021, ISSN 0926-3373
Éditeur: Elsevier BV
DOI: 10.1016/j.apcatb.2021.120398

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

Auteurs: Shuang Han; Giovanni Barcaro; Alessandro Fortunelli; Steen Lysgaard; Tejs Vegge; Heine Anton Hansen
Publié dans: npj Computational Materials, Numéro 8, 2022, Page(s) 121, ISSN 2057-3960
Éditeur: Springer Nature
DOI: 10.1038/s41524-022-00807-6

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

Auteurs: Avci O. N., Sementa L., Fortunelli. A.
Publié dans: ACS Catalysis, Numéro 12(15), 2022, Page(s) 9058-9073, ISSN 2155-5435
Éditeur: American Chemical Society
DOI: 10.1021/acscatal.2c01534

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

Auteurs: 13. Roongcharoen T., Yang X., Han S., Sementa L., Vegge T., Hansen H. A., Fortunelli A.
Publié dans: Faraday Discussions, Numéro 242, 2023, Page(s) 174-192, ISSN 1359-6640
Éditeur: 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

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

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

Auteurs: Monica Pazos Urrea; Felix Herold; De Chen; Magnus Rønning
Publié dans: Catalysis Today, Numéro 418, 2023, Page(s) 114066, ISSN 0920-5861
Éditeur: Elsevier BV
DOI: 10.1016/j.cattod.2023.114066

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

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

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

Auteurs: Avci, Ö. N., Sementa L., Fortunelli. A.
Publié dans: Physchem, Numéro 4(1), 2024, Page(s) 43-60, ISSN 2673-7167
Éditeur: MPDI
DOI: 10.3390/physchem4010004

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

Auteurs: Andrea Braga Marina Armengol Profitós Xavier Vendrell Villafruela Lluís Soler Turu Ignacio J. Villar García Virginia Pérez Dieste Núria J. Divins Jordi Llorca
Publié dans: ACS Applied Nano Materials, 2023, ISSN 2574-0970
Éditeur: American Chemical Society
DOI: 10.1021/acsanm.3c00104

Algorithms for accelerating the optimization of alloy catalysts

Auteurs: Shuang Han
Publié dans: 2022
Éditeur: Technical University of Denmark

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