Felix Studt
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Explore the profile of Felix Studt including associated specialties, affiliations and a list of published articles.
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66
Citations
1085
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Recent Articles
1.
Vazquez Quesada J, Bernart S, Studt F, Wang Y, Fink K
J Chem Phys
. 2024 Dec;
161(22).
PMID: 39660658
A benchmark model that combines an embedded-cluster approach for ionic surfaces with wavefunction-based methods to predict the vibrational frequencies of molecules adsorbed on surfaces is presented. As a representative case,...
2.
Kramarenko A, Sharapa D, Pidko E, Studt F
J Phys Chem A
. 2024 Oct;
128(41):9063-9070.
PMID: 39362650
The current state-of-the-art electron-transfer modeling primarily focuses on the kinetics of charge transfer between an electroactive species and an inert electrode. Experimental studies have revealed that the existing Butler-Volmer model...
3.
Braun L, Spielmann J, Doronkin D, Kuhn C, Maliugin A, Sharapa D, et al.
ChemSusChem
. 2024 Jul;
17(24):e202401045.
PMID: 38977411
Iron is considered as attractive energy carrier in a carbon-free, circular energy economy. The reduction of iron oxide is crucial for its application as a metal fuel as it determines...
4.
Gashnikova D, Maurer F, Sauter E, Bernart S, Jelic J, Dolcet P, et al.
Angew Chem Int Ed Engl
. 2024 Jun;
63(35):e202408511.
PMID: 38877822
CeO-supported noble metal clusters are attractive catalytic materials for several applications. However, their atomic dispersion under oxidizing reaction conditions often leads to catalyst deactivation. In this study, the noble metal...
5.
Chen S, Plessow P, Yu Z, Sauter E, Caulfield L, Nefedov A, et al.
Angew Chem Int Ed Engl
. 2024 May;
63(27):e202404775.
PMID: 38758087
The surface structure and chemical properties of Y-stabilized zirconia (YSZ) have been subjects of intense debate over the past three decades. However, a thorough understanding of chemical processes occurring at...
6.
Chen S, Jelic J, Rein D, Najafishirtari S, Schmidt F, Girgsdies F, et al.
Nat Commun
. 2024 Jan;
15(1):871.
PMID: 38286982
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...
7.
Kreitz B, Lott P, Studt F, Medford A, Deutschmann O, Goldsmith C
Angew Chem Int Ed Engl
. 2023 Jul;
62(39):e202306514.
PMID: 37505449
The study presents an ab-initio based framework for the automated construction of microkinetic mechanisms considering correlated uncertainties in all energetic parameters and estimation routines. 2000 unique microkinetic models were generated...
8.
Sheikh K, Zevaco T, Jelic J, Studt F, Bender M
RSC Adv
. 2023 Jul;
13(33):22698-22709.
PMID: 37502823
Herein we report the one-pot cobalt catalysed synthesis of the dimethylacetal of acetaldehyde from synthesis gas and methanol. The product can be used as a fuel additive either as it...
9.
Esmaeilpour M, Bugel P, Fink K, Studt F, Wenzel W, Kozlowska M
Int J Mol Sci
. 2023 May;
24(10).
PMID: 37239915
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...
10.
Amsler J, Plessow P, Studt F, Bucko T
J Chem Theory Comput
. 2023 Apr;
19(9):2455-2468.
PMID: 37043693
For the calculation of anharmonic contributions to free energy barriers, constrained thermodynamic λ-path integration (λ-TI) from a harmonic reference force field to density functional theory is presented as an alternative...