Zobrazeno 1 - 10
of 159
pro vyhledávání: '"Christopher Arntsen"'
Autor:
Aurelia A. Moses, Christopher Arntsen
Publikováno v:
Physical Chemistry Chemical Physics. 25:2142-2152
Development of efficient anhydrous proton-conducting materials would expand the operational temperature ranges of hydrogen fuels cells (HFCs) and eliminate their dependence on maintaining sufficient hydration levels to function efficiently.
Autor:
Christopher Arntsen, Matthias Zeller, Saidah Yusuf, Douglas T. Genna, Caleb J. Tatebe, Michael K. Bellas
Publikováno v:
Crystal Growth & Design. 21:6840-6846
In this work a series of analyses are performed on ab initio molecular dynamics (AIMD) simulations of a hydrated excess proton in water to quantify the relative occurrence of concerted hopping events and rattling events, and thus to further elucidate
Externí odkaz:
https://explore.openaire.eu/search/publication?articleId=doi_dedup___::b46459482efe5f96e5f9156ec82d05d7
Publikováno v:
Chemical Physics Letters. 683:573-578
We present two new multiscale molecular dynamics (MS-RMD) models for the hydrated excess proton in water developed directly from ab initio molecular dynamics (AIMD) simulation data of the same system. The potential of mean force along the proton tran
Publikováno v:
Fuel Cells. 16:695-703
Proton exchange membrane fuel cells (PEMFCs) are promising to become the next generation of energy conversion devices that are efficient, lightweight, and have clean emissions. In these cells, a hydrated polymer membrane acts as an electrolyte layer
Publikováno v:
The Journal of Chemical Physics. 152:094903
Anion exchange membranes (AEMs) can be cheaper alternatives than proton exchange membranes, but a key challenge for AEMs is to archive good ionic conductivity while maintaining mechanical strength. Diblock copolymers containing a mechanically strong
Incorporation of quantum mechanical electronic structure data is necessary to properly capture the physics of many chemical processes. Proton hopping in water, which involves rearrangement of chemical and hydrogen bonds, is one such example of an inh
Externí odkaz:
https://explore.openaire.eu/search/publication?articleId=doi_dedup___::17d7c9225dd38f16ef38c779a94b6067
https://europepmc.org/articles/PMC5584654/
https://europepmc.org/articles/PMC5584654/
Publikováno v:
International Journal of Quantum Chemistry. 113:1885-1889
A method is introduced for simple calculation of charge transfer between very large solvated organic dimers (fullerenes here) from isolated dimer calculations. The individual monomers in noncentrosymmetric dimers experience different chemical environ
Autor:
Christopher Arntsen, Timothy J. Merkel, Esmaiel Jabbari, K. Venkataramaniah, Giampiero Amato, Yu Sun, Sylvain Martel, Florence Sanchez, Kuo-Sheng Ma, Francesco Angelis, Soichiro Tsuda, Xiaobin Zhang, Remo Proietti Zaccaria, Marzia Quaglio, Lu Dai, Paolo Allia, Carlo Liberale, Apparao M. Rao, Jason Li, Aloke Kumar, S. Siva Sankara Sai, Nastassja A. Lewinski, Ramakrishna Podila, Jie Du, Nipun Sinha, Mary Cano-Sarabia, Daniele Malleo, Cristina Potrich, Liberato Manna, Marco Francardi, Gobind Das, Jian He, Andrea Toma, Federico Mecarini, Menghan Zhou, Susan Köppen, Michael Nosonovsky, Celeste M. Nelson, Konstantin Sobolev, Shrikant C. Nagpure, V. Sai Muthukumar, Xinyong Tao, Paola Martino, Daniel Maspoch, Bradley J. Nelson, Lixin Jia, Jason P. Gleghorn, Lucio Colombi Ciacchi, Olivier Bourgeois, Mónica Lira-Cantú, Laura Pasquardini, Simone Hieber, Enzo Fabrizio, Steve To, Cecilia Pederzolli, Ille C. Gebeshuber, Roman Krahne, Yongfen Qi, Paola Rivolo, Satish C. Chaparala, Aeraj Haque, Angelica Chiodoni, Francesco Gentile, Lidan You, Lixin Dong, Manuel L. B. Palacio, Daniel Neuhauser, Francesca Frascella, Lorenzo Lunelli, Kenneth A. Lopata, Li Zhang, Chunlei Wang, Minami Yoda, Matthew Wright, Joseph M. DeSimone, Stefano Bianco, David W. Lee, Peter Bøggild, Bert Müller, Irene González-Valls, Zheng Fan, Reji Philip, Alessandro Chiolerio, Mariangela Lombardi, Dongchan Jang, J. Tanner Nevill, Claudio Gerbaldi, Emiliano Descrovi, Bharat Bhushan, Maria Laura Coluccio, Rustom B. Bhiladvala, Alessandro Alabastri, Wei Chen, Hans Deyhle, Wei Yu, Mirko Ballarini, Matteo Rinaldi, Jean-Luc Garden, Luca Boarino, Benoy Anand, Vikram Bhatia, Didi Xu, Angelo Accardo
Publikováno v:
Encyclopedia of Nanotechnology ISBN: 9789400761780
Externí odkaz:
https://explore.openaire.eu/search/publication?articleId=doi_________::c9d7e20a1c752917ba824da87822d2ca
https://doi.org/10.1007/978-94-007-6178-0_281-2
https://doi.org/10.1007/978-94-007-6178-0_281-2