Zobrazeno 1 - 10
of 71
pro vyhledávání: '"W. L. Cavalcanti"'
Autor:
Roland Marschall, Michaela Wilhelm, Pia Tölle, Christof Köhler, Thomas Frauenheim, Michael Wark, W. L. Cavalcanti
Publikováno v:
The Journal of Physical Chemistry C. 113:19218-19227
Two different synthesis routes to prepare highly ordered and highly proton conductive sulfonic acid (SO3H) functionalized mesoporous silica materials are presented. The highest loading of Si-MCM-41...
Externí odkaz:
https://explore.openaire.eu/search/publication?articleId=doi_________::bc7d527203f2adeacc8e45127b487aaa
https://doi.org/10.1021/jp904322y
https://doi.org/10.1021/jp904322y
Autor:
Thomas Frauenheim, Christof Köhler, Roland Marschall, W. L. Cavalcanti, Michael Wark, Pia Tölle
Publikováno v:
Fuel Cells. 8:244-253
The proton conduction in immobilised imidazole systems has been investigated in order to support the design of new membrane materials for polymer electrolyte membrane fuel cells (PEMFC). In the experimental part of this work, proton conductivities ar
Externí odkaz:
https://explore.openaire.eu/search/publication?articleId=doi_________::1a20295a149ff766b3b46e31c3edab7a
https://doi.org/10.1002/fuce.200800003
https://doi.org/10.1002/fuce.200800003
Publikováno v:
Fuel Cells. 8:236-243
The mobility of an excess proton has been studied in systems of immobilised imidazole under different conditions using quantum mechanical approaches coupled to a molecular mechanics force field in molecular dynamics. The system is a simple model for
Externí odkaz:
https://explore.openaire.eu/search/publication?articleId=doi_________::768c7a440867b364cb36a5fc1e0c48a7
https://doi.org/10.1002/fuce.200800006
https://doi.org/10.1002/fuce.200800006
Publikováno v:
physica status solidi (a). 204:935-939
In this work we present the result of an algorithm implementation for reverse nonequilibrium molecular dynamics simulation which allows the prediction of viscosity. A non physical momentum flux is imposed by dividing the simulation box into slabs and
Externí odkaz:
https://explore.openaire.eu/search/publication?articleId=doi_________::1ad08482215c42f748c4ec833ac56ec3
https://doi.org/10.1002/pssa.200675201
https://doi.org/10.1002/pssa.200675201
Autor:
Svaneborg, Carsten, Everaers, Ralf
Publikováno v:
Journal of Chemical Physics; 2/7/2023, Vol. 158 Issue 5, p1-21, 21p
Publikováno v:
Journal of Chemical Physics; 8/7/2020, Vol. 153 Issue 5, p1-15, 15p, 3 Diagrams, 1 Chart, 2 Graphs
Autor:
Schembera, Björn, Wüubbeling, Frank, Koprucki, Thomas, Biedinger, Christine, Reidelbach, Marco, Schmidt, Burkhard, Göddeke, Dominik, Fiedler, Jochen
Publikováno v:
Proceedings of the Conference on Research Data Infrastructure; 2023, Vol. 1, p1-5, 5p
Publikováno v:
Macromolecular Chemistry & Physics; Apr2023, Vol. 224 Issue 8, p1-7, 7p
Publikováno v:
Journal of Chemical Physics; 12/28/2018, Vol. 149 Issue 24, pN.PAG-N.PAG, 12p, 2 Diagrams, 9 Graphs
Autor:
Ye, Jianhua1, Si, Junhui2, Cui, Zhixiang1,2 cuizhixiang2006@126.com, Wang, Qianting2, Peng, Kaiping1, Chen, Wenzhe1,2 chenwz@fjut.edu.cn, Peng, Xiangfang2,3, Chen, Shia‐Chung4
Publikováno v:
Macromolecular Materials & Engineering. Nov2017, Vol. 302 Issue 11, pn/a-N.PAG. 9p.