Zobrazeno 1 - 10
of 34
pro vyhledávání: '"Robert H. Meißner"'
Autor:
Elisabeth J. Schiessler, Tim Würger, Bahram Vaghefinazari, Sviatlana V. Lamaka, Robert H. Meißner, Christian J. Cyron, Mikhail L. Zheludkevich, Christian Feiler, Roland C. Aydin
Publikováno v:
npj Materials Degradation, Vol 7, Iss 1, Pp 1-8 (2023)
Abstract Small organic molecules can alter the degradation rates of the magnesium alloy ZE41. However, identifying suitable candidate compounds from the vast chemical space requires sophisticated tools. The information contained in only a few molecul
Externí odkaz:
https://doaj.org/article/20affbe396dc44958109d5d8f9c154ef
Autor:
Amir Kotobi, Lucas Schwob, Gregor B. Vonbun-Feldbauer, Mariana Rossi, Piero Gasparotto, Christian Feiler, Giel Berden, Jos Oomens, Bart Oostenrijk, Debora Scuderi, Sadia Bari, Robert H. Meißner
Publikováno v:
Communications Chemistry, Vol 6, Iss 1, Pp 1-10 (2023)
Infrared spectroscopy is widely used for detailed insights into the three-dimensional molecular structure of biomolecules, however, the accurate description of experimental data by theoretical approaches remains challenging due to the dynamic process
Externí odkaz:
https://doaj.org/article/82fb46520699499c90a02c707768cbbe
Autor:
Marcus Creutzburg, Mine Konuk, Steffen Tober, Simon Chung, Björn Arndt, Heshmat Noei, Robert H. Meißner, Andreas Stierle
Publikováno v:
Communications Chemistry, Vol 5, Iss 1, Pp 1-9 (2022)
Metal oxide nanoparticles functionalized by organic molecules are important building blocks for nanocomposites. Here, the authors study the adsorption of oleic acid on magnetite (001) and (111) surfaces experimentally by SXRD, LEED, FT-IRRAS and XRR,
Externí odkaz:
https://doaj.org/article/52ae832c15be4bb3bdbcd597627b83f9
Autor:
Elisabeth J. Schiessler, Tim Würger, Sviatlana V. Lamaka, Robert H. Meißner, Christian J. Cyron, Mikhail L. Zheludkevich, Christian Feiler, Roland C. Aydin
Publikováno v:
npj Computational Materials, Vol 7, Iss 1, Pp 1-9 (2021)
Abstract The degradation behaviour of magnesium and its alloys can be tuned by small organic molecules. However, an automatic identification of effective organic additives within the vast chemical space of potential compounds needs sophisticated tool
Externí odkaz:
https://doaj.org/article/60d8828f3c82490391add887e60612fd
Publikováno v:
ACS Polymers Au, Vol 1, Iss 3, Pp 165-174 (2021)
Externí odkaz:
https://doaj.org/article/46741943785140c2b35fe44cf0e51a62
Autor:
Tim Würger, Di Mei, Bahram Vaghefinazari, David A. Winkler, Sviatlana V. Lamaka, Mikhail L. Zheludkevich, Robert H. Meißner, Christian Feiler
Publikováno v:
npj Materials Degradation, Vol 5, Iss 1, Pp 1-10 (2021)
Abstract Small organic molecules that modulate the degradation behavior of Mg constitute benign and useful materials to modify the service environment of light metal materials for specific applications. The vast chemical space of potentially effectiv
Externí odkaz:
https://doaj.org/article/9927113aea7c4119b7eabc65571a210f
Autor:
Tim Würger, Christian Feiler, Félix Musil, Gregor B. V. Feldbauer, Daniel Höche, Sviatlana V. Lamaka, Mikhail L. Zheludkevich, Robert H. Meißner
Publikováno v:
Frontiers in Materials, Vol 6 (2019)
Magnesium exhibits a high potential for a variety of applications in areas such as transport, energy and medicine. However, untreated magnesium alloys are prone to corrosion, restricting their practical application. Therefore, it is necessary to deve
Externí odkaz:
https://doaj.org/article/8836549c188c444e98b75faeeb12c92c
Autor:
Tim Würger, Linqian Wang, Darya Snihirova, Min Deng, Sviatlana V. Lamaka, David A. Winkler, Daniel Höche, Mikhail L. Zheludkevich, Robert H. Meißner, Christian Feiler
Publikováno v:
Journal of Materials Chemistry A. 10:21672-21682
Data-driven quantitative structure–property relationship models facilitate the selection of potent electrolyte additives for aqueous magnesium batteries in an active design of experiments approach.
Externí odkaz:
https://explore.openaire.eu/search/publication?articleId=doi_________::cbfd16d1c6b07eb958649ed6832f7c60
https://doi.org/10.1039/d2ta04538a
https://doi.org/10.1039/d2ta04538a
Publikováno v:
The Journal of chemical physics. 157(8)
Constant potential methods (CPMs) enable computationally efficient simulations of the solid-liquid interface at conducting electrodes in molecular dynamics. They have been successfully used, for example, to realistically model the behavior of ionic l
Externí odkaz:
https://explore.openaire.eu/search/publication?articleId=pmid________::75bdbd1de67b62b2c2fb5a83e810849a
https://pubmed.ncbi.nlm.nih.gov/36050033
https://pubmed.ncbi.nlm.nih.gov/36050033
Publikováno v:
ACS Polymers Au, Vol 1, Iss 3, Pp 165-174 (2021)
Konrad, J.; Meißner, R.; Bitzek, E.; Zahn, D.: A Molecular Simulation Approach to Bond Reorganization in Epoxy Resins: From Curing to Deformation and Fracture. In: ACS Polymers Au. Vol. 1 (2021) 3, 165-174. (DOI: /10.1021/acspolymersau.1c00016)
Konrad, J.; Meißner, R.; Bitzek, E.; Zahn, D.: A Molecular Simulation Approach to Bond Reorganization in Epoxy Resins: From Curing to Deformation and Fracture. In: ACS Polymers Au. Vol. 1 (2021) 3, 165-174. (DOI: /10.1021/acspolymersau.1c00016)
We model bond formation and dissociation processes in thermosetting polymer networks from molecular dynamics simulations. For this, a coarsened molecular mechanics model is derived from quantum calculations to provide effective interaction potentials
Externí odkaz:
https://explore.openaire.eu/search/publication?articleId=doi_dedup___::c104932a9edf414db6cf0fdee637a8ad
https://doaj.org/article/46741943785140c2b35fe44cf0e51a62
https://doaj.org/article/46741943785140c2b35fe44cf0e51a62