Zobrazeno 1 - 10
of 13
pro vyhledávání: '"Daniel Gaissmaier"'
Autor:
Björn Kirchhoff, Christoph Jung, Daniel Gaissmaier, Laura Braunwarth, Donato Fantauzzi, Timo Jacob
Publikováno v:
Physical Chemistry Chemical Physics. 25:13228-13243
This tutorial-review article introduces and compares various ways of analyzing simulations of nanoparticle model systems. Code examples are provided via an online tutorial.
Externí odkaz:
https://explore.openaire.eu/search/publication?articleId=doi_________::707135ea44dde4886c9e3cc3938eacc6
https://doi.org/10.1039/d3cp01073b
https://doi.org/10.1039/d3cp01073b
Autor:
Florian Fiesinger, Daniel Gaissmaier, Matthias van den Borg, Julian Beßner, Adri C. T. van Duin, Timo Jacob
Publikováno v:
ChemSusChem, 16 (3), Art.-Nr.: e202201821
One of the key challenges preventing the breakthrough of magnesium-ion batteries (MIB) is the formation of a passivating boundary layer at the Mg anode. To describe the initial steps of Mg anode degradation by O2 impurities, we have developed a Mg/O
Externí odkaz:
https://explore.openaire.eu/search/publication?articleId=doi_dedup___::108e793245d2ff9674629e337a5f80f9
https://publikationen.bibliothek.kit.edu/1000155477
https://publikationen.bibliothek.kit.edu/1000155477
In this work, we demonstrate the superior exploration capabilities of the population-based methods over the sequential one-parameter parabolic interpolation (SOPPI) approach to optimise ReaxFF force field parameters. Evolutionary algorithms (EAs) are
Externí odkaz:
https://explore.openaire.eu/search/publication?articleId=doi_dedup___::def92204cee3626a71cdb126977f47ad
https://doi.org/10.26434/chemrxiv-2022-lrsjd-v2
https://doi.org/10.26434/chemrxiv-2022-lrsjd-v2
Autor:
Philipp Schüler, Simon Sengupta, Steve Zaubitzer, Florian Fiesinger, Saustin Dongmo, Helmar Görls, Margret Wohlfahrt‐Mehrens, Matthias van den Borg, Daniel Gaissmaier, Sven Krieck, Mario Marinaro, Timo Jacob, Matthias Westerhausen
Publikováno v:
European Journal of Inorganic Chemistry, 2022 (17), Art.-Nr.: e202200149
Lithium-ion batteries pose certain drawbacks and alternatives are highly demanded. Requirements such as low corrosiveness, electrochemical stability and suitable electrolytes can be met by magnesium-ion batteries. Metalation of carbazole with Mg in T
Externí odkaz:
https://explore.openaire.eu/search/publication?articleId=doi_dedup___::4a0d5d2c0c45bf00151184932835a6dd
https://doi.org/10.1002/ejic.202200149
https://doi.org/10.1002/ejic.202200149
Publikováno v:
ChemSusChem, 15 (14), Art.Nr. e202200414
Rechargeable magnesium-ion batteries (MIBs) are a promising alternative to commercial lithium-ion batteries (LIBs). They are safer to handle, environmentally more friendly, and provide a five-time higher volumetric capacity (3832 mAh cm$^{-3}$) than
Externí odkaz:
https://explore.openaire.eu/search/publication?articleId=doi_dedup___::78a12a0975068b9f052424e2fb236104
https://pubmed.ncbi.nlm.nih.gov/35353957
https://pubmed.ncbi.nlm.nih.gov/35353957
Rechargeable magnesium-ion batteries (MIBs) are a promising alternative to commercial lithium-ion batteries (LIBs). They are safer to handle, environmentally more friendly, and provide a five-time higher volumetric capacity (3832 mAh·cm-3) than comm
Externí odkaz:
https://explore.openaire.eu/search/publication?articleId=doi_________::edccb36d5c924e0e7b87d084998ece93
https://doi.org/10.26434/chemrxiv-2022-qz055
https://doi.org/10.26434/chemrxiv-2022-qz055
Publikováno v:
ChemSusChem, 15 (2), Art. Nr.: e202101765
Keep dry: For metallic lithium anodes, the violent reaction with water is associated with a reduction in battery performance and represents a potential safety hazard. Using first‐principle calculations, the fundamental surface reactions of lithium
Externí odkaz:
https://explore.openaire.eu/search/publication?articleId=doi_dedup___::4799c79177eb20b3c33704917e81d399
https://pubmed.ncbi.nlm.nih.gov/34783450
https://pubmed.ncbi.nlm.nih.gov/34783450
Autor:
Carolin Müller, Alexander K. Mengele, Salam Maloul, Carsten Streb, Timo Jacob, Linda Zedler, Benjamin Dietzek-Ivanšić, Daniel Gaissmaier, Sven Rau, Matthias van den Borg
Multifunctional supramolecular systems are a central research topic in light-driven solar energy conversion. Here, we report a polyoxometalate (POM)-based supramolecular dyad, where two platinum-complex hydrogen evolution catalysts are covalently anc
Externí odkaz:
https://explore.openaire.eu/search/publication?articleId=doi_dedup___::2f60953851d5ef1107a08b9064c70522
https://doi.org/10.26434/chemrxiv-2021-d0fg9
https://doi.org/10.26434/chemrxiv-2021-d0fg9
Autor:
Sören Selve, Timo Jacob, Andrew Doran, Reinhard Schomäcker, Ulla Simon, Maged F. Bekheet, Albert Gili, Patrick Littlewood, Daniel Gaissmaier, Lukas Schlicker, Delf Kober, Oliver Görke, Aleksander Gurlo
Publikováno v:
ACS Catalysis. 9:6999-7011
The mechanism of multiwalled carbon nanotube synthesis from methane chemical vapor deposition on a 5% Ni/MnO catalyst is studied at 873 and 1073 K by in situ transmission XRD using synchrotron radi...
Externí odkaz:
https://explore.openaire.eu/search/publication?articleId=doi_________::2a1b363f28dd021dd69d95913b98b68e
https://doi.org/10.1021/acscatal.9b00733
https://doi.org/10.1021/acscatal.9b00733
Autor:
Steve Zaubitzer, Saustin Dongmo, Philipp Schüler, Sven Krieck, Florian Fiesinger, Daniel Gaissmaier, Matthias van den Borg, Timo Jacob, Matthias Westerhausen, Margret Wohlfahrt-Mehrens, Mario Marinaro
Publikováno v:
Energy Technology. 10:2200440
Externí odkaz:
https://explore.openaire.eu/search/publication?articleId=doi_________::9dab3c00df07830596424d58d5a1d9a7
https://doi.org/10.1002/ente.202200440
https://doi.org/10.1002/ente.202200440