Zobrazeno 1 - 10
of 52
pro vyhledávání: '"Jonathan E. Mueller"'
Autor:
Modjtaba Shokrian Zini, Alain Delgado, Roberto dos Reis, Pablo Antonio Moreno Casares, Jonathan E. Mueller, Arne-Christian Voigt, Juan Miguel Arrazola
Publikováno v:
Quantum, Vol 7, p 1049 (2023)
Ionic pseudopotentials are widely used in classical simulations of materials to model the effective potential due to the nucleus and the core electrons. Modeling fewer electrons explicitly results in a reduction in the number of plane waves needed to
Externí odkaz:
https://doaj.org/article/b6effe6576c74e35a4c88374bb12f6e0
Publikováno v:
Electrochemistry Communications, Vol 141, Iss , Pp 107362- (2022)
Half-cell gas diffusion electrode (GDE) setups have recently been shown to allow characterization of oxygen reduction reaction (ORR) catalysts at fuel cell relevant current densities and potentials while offering the advantage of fast screening and r
Externí odkaz:
https://doaj.org/article/dd40423475294fd981c79152f4e31315
Publikováno v:
AIP Advances, Vol 12, Iss 3, Pp 035315-035315-18 (2022)
Silicon is widely used in the semiconductor industry and has recently become very attractive as a lithium ion battery anode due to its high capacity. However, volume changes associated with repeated lithiation–delithiation cycles expose fresh silic
Externí odkaz:
https://doaj.org/article/8ee44d6bb02040f7b0f558bc3faf4323
Autor:
Stéphane B. Olou’ou Guifo, Jonathan E. Mueller, Diana van Duin, Mahdi K. Talkhoncheh, Adri C. T. van Duin, David Henriques, Torsten Markus
Publikováno v:
The Journal of Physical Chemistry C. 127:2818-2834
Externí odkaz:
https://explore.openaire.eu/search/publication?articleId=doi_________::c01d13e18a8af28e1ebb8ea84138b7ef
https://doi.org/10.1021/acs.jpcc.2c07773
https://doi.org/10.1021/acs.jpcc.2c07773
Autor:
Nicolai Schmitt, Mareike Schmidt, Jonathan E. Mueller, Lasse Schmidt, Michael Trabold, Katharina Jeschonek, Bastian J. M. Etzold
Publikováno v:
Energy Advances.
This work highlights how the different environment of the catalyst in GDE and MEA evaluation results in different trends of catalyst layer activity towards the oxygen reduction reaction being observed with both techniques.
Externí odkaz:
https://explore.openaire.eu/search/publication?articleId=doi_________::be8709c56d72a5e0b283270ec8dcbfa8
https://doi.org/10.1039/d3ya00055a
https://doi.org/10.1039/d3ya00055a
Autor:
Alain Delgado, Pablo A. M. Casares, Roberto dos Reis, Modjtaba Shokrian Zini, Roberto Campos, Norge Cruz-Hernández, Arne-Christian Voigt, Angus Lowe, Soran Jahangiri, M. A. Martin-Delgado, Jonathan E. Mueller, Juan Miguel Arrazola
Publikováno v:
E-Prints Complutense. Archivo Institucional de la UCM
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There is a pressing need to develop new rechargeable battery technologies that can offer higher energy storage, faster charging, and lower costs. Despite the success of existing methods for the simulation of battery materials, they can sometimes fall
Externí odkaz:
https://explore.openaire.eu/search/publication?articleId=doi_dedup___::6ff47117e15421381d705b4baf064570
Publikováno v:
Journal of Catalysis. 398:89-101
Surface phase diagrams based on density functional theory (DFT) calculations are used to identify stable surface phases present during the oxidation of fuel-cell-relevant organic compounds on Pt-Ru catalysts. The presence of adsorbed CO and O under o
Externí odkaz:
https://explore.openaire.eu/search/publication?articleId=doi_________::1192f4e42a349f07ed095b8d68f0c00f
https://doi.org/10.1016/j.jcat.2021.04.001
https://doi.org/10.1016/j.jcat.2021.04.001
Publikováno v:
Physical chemistry chemical physics : PCCP. 24(16)
The high energy density offered by silicon along with its mineralogical abundance in the earth's crust, make silicon a very promising material for lithium-ion-battery anodes. Despite these potential advantages, graphitic carbon is still the state of
Externí odkaz:
https://explore.openaire.eu/search/publication?articleId=doi_dedup___::1a1100cc4543f7b44435544a826af520
https://pubmed.ncbi.nlm.nih.gov/35388824
https://pubmed.ncbi.nlm.nih.gov/35388824
Autor:
Ludwig A. Kibler, Timo Jacob, Sebastian Kirsch, Lasse Schmidt, Gerold Huebner, Christoph Jung, Yannick Mattausch, Maximilian J. Eckl, Jonathan E. Mueller
Publikováno v:
Electrochemical Science Advances. 2
Externí odkaz:
https://explore.openaire.eu/search/publication?articleId=doi_________::8943fc1644a39d8f9a1cfebe5c64c110
https://doi.org/10.1002/elsa.202100049
https://doi.org/10.1002/elsa.202100049
Autor:
Kamyar Akbari Roshan, Mahdi Khajeh Talkhoncheh, Jonathan E. Mueller, William A. Goddard, Adri C. T. van Duin
Transition-metal impurities such as nickel, copper, and iron in solid-state materials like silicon have a significant impact on the electrical performance of integrated circuits and solar cells. To study the impact of copper impurities inside bulk si
Externí odkaz:
https://explore.openaire.eu/search/publication?articleId=doi_dedup___::e084f42eb7118214230f2ba3ce85be94
https://resolver.caltech.edu/CaltechAUTHORS:20210831-184319829
https://resolver.caltech.edu/CaltechAUTHORS:20210831-184319829