Highly loaded bimetallic iron-cobalt catalysts for hydrogen release from ammonia

Autor: Shilong Chen, Jelena Jelic, Denise Rein, Sharif Najafishirtari, Franz-Philipp Schmidt, Frank Girgsdies, Liqun Kang, Aleksandra Wandzilak, Anna Rabe, Dmitry E. Doronkin, Jihao Wang, Klaus Friedel Ortega, Serena DeBeer, Jan-Dierk Grunwaldt, Robert Schlögl, Thomas Lunkenbein, Felix Studt, Malte Behrens

Publikováno v: Nature Communications, Vol 15, Iss 1, Pp 1-11 (2024)

Abstract Ammonia is a storage molecule for hydrogen, which can be released by catalytic decomposition. Inexpensive iron catalysts suffer from a low activity due to a too strong iron-nitrogen binding energy compared to more active metals such as ruthe

Externí odkaz: https://doaj.org/article/10449b533a3d4884bbfd4659b897e294

Analytical Model of CVD Growth of Graphene on Cu(111) Surface

Autor: Ilya Popov, Patrick Bügel, Mariana Kozlowska, Karin Fink, Felix Studt, Dmitry I. Sharapa

Publikováno v: Nanomaterials, Vol 12, Iss 17, p 2963 (2022)

Although the CVD synthesis of graphene on Cu(111) is an industrial process of outstanding importance, its theoretical description and modeling are hampered by its multiscale nature and the large number of elementary reactions involved. In this work,

Externí odkaz: https://doaj.org/article/2a454c769d294d70a26a5e467eeef3a5

Metal–Support Interactions in Heterogeneous Catalysis: DFT Calculations on the Interaction of Copper Nanoparticles with Magnesium Oxide

Autor: Amir H. Hakimioun, Bart D. Vandegehuchte, Daniel Curulla-Ferre, Kamila Kaźmierczak, Philipp N. Plessow, Felix Studt

Publikováno v: ACS Omega

Oxide supports play an important role in enhancing the catalytic properties of transition metal nanoparticles in heterogeneous catalysis. How extensively interactions between the oxide support and the nanoparticles impact the electronic structure as

Externí odkaz: https://explore.openaire.eu/search/publication?articleId=doi_dedup___::a754788a6e6813323595c76fd49aeaef
https://doi.org/10.1021/acsomega.3c00502

Cooperative Effects of Active Sites in the MTO Process: A Computational Study of the Aromatic Cycle in H-SSZ-13

Autor: Philipp N. Plessow, Felix Studt

Publikováno v: ACS Catalysis. 13:624-632

Externí odkaz: https://explore.openaire.eu/search/publication?articleId=doi_________::e81d4a76b0824d68eb0ebf3c09c81c63
https://doi.org/10.1021/acscatal.2c04694

Multiscale Model of CVD Growth of Graphene on Cu(111) Surface

Autor: Meysam Esmaeilpour, Patrick Bügel, Karin Fink, Felix Studt, Wolfgang Wenzel, Mariana Kozlowska

Publikováno v: International Journal of Molecular Sciences; Volume 24; Issue 10; Pages: 8563
International Journal of Molecular Sciences, 24 (10), Art.-Nr.: 8563

Due to its outstanding properties, graphene has emerged as one of the most promising 2D materials in a large variety of research fields. Among the available fabrication protocols, chemical vapor deposition (CVD) enables the production of high quality

Externí odkaz: https://explore.openaire.eu/search/publication?articleId=doi_dedup___::ef09deb489dff3bd9097a1faa4468c93