Zobrazeno 1 - 8
of 8
pro vyhledávání: '"John A. Kattirtzi"'
Autor:
Luke Sperrin, Maria A. Gomez, Céline Merlet, John A. Kattirtzi, Amangeldi Torayev, Clare P. Grey
Publikováno v:
Journal of Physical Chemistry C
Journal of Physical Chemistry C, American Chemical Society, 2020
The Journal of Physical Chemistry C
Journal of Physical Chemistry C, American Chemical Society, 2020, 124 (30), pp.16689-16701. ⟨10.1021/acs.jpcc.0c04594⟩
The Journal of Physical Chemistry. C, Nanomaterials and Interfaces
Journal of Physical Chemistry C, 2020, 124 (30), pp.16689-16701. ⟨10.1021/acs.jpcc.0c04594⟩
Journal of Physical Chemistry C, American Chemical Society, 2020
The Journal of Physical Chemistry C
Journal of Physical Chemistry C, American Chemical Society, 2020, 124 (30), pp.16689-16701. ⟨10.1021/acs.jpcc.0c04594⟩
The Journal of Physical Chemistry. C, Nanomaterials and Interfaces
Journal of Physical Chemistry C, 2020, 124 (30), pp.16689-16701. ⟨10.1021/acs.jpcc.0c04594⟩
Y-doped BaZrO$_3$ is a promising proton conductor for intermediate temperature solid oxide fuel cells. In this work, a combination of static DFT calculations and DFT based molecular dynamics (DFT-MD) was used to study proton conduction in such a mate
Externí odkaz:
https://explore.openaire.eu/search/publication?articleId=doi_dedup___::6a80a7bbcbdabcb71d7066188865b13a
Autor:
Volker L, Deringer, Céline, Merlet, Yuchen, Hu, Tae Hoon, Lee, John A, Kattirtzi, Oliver, Pecher, Gábor, Csányi, Stephen R, Elliott, Clare P, Grey
Publikováno v:
Chemical communications (Cambridge, England). 54(47)
Disordered nanoporous and "hard" carbons are widely used in batteries and supercapacitors, but their atomic structures are poorly determined. Here, we combine machine learning and DFT to obtain new atomistic insight into carbonaceous energy materials
Externí odkaz:
https://explore.openaire.eu/search/publication?articleId=pmid________::8dcad7ff7f81287c152fc4fa108aad3c
https://pubmed.ncbi.nlm.nih.gov/29790508
https://pubmed.ncbi.nlm.nih.gov/29790508
Autor:
Bruce Dunn, Jonathan Lau, Ian Graham Miller, B. Reeja-Jayan, Rick Kayser, Priya Moni, Andong Liu, Adam P. Willard, Karen K. Gleason, John A. Kattirtzi, Nan Chen
Publikováno v:
Macromolecules. 48:5222-5229
Nanoscale (10–50 nm) thin films of cyclic siloxane and silazane polymers were synthesized by initiated chemical vapor deposition (iCVD). We have previously demonstrated that the non-line-of-sight iCVD synthesis process can create uniform conformal
Externí odkaz:
https://explore.openaire.eu/search/publication?articleId=doi_________::fcfcca1997269222700ac0213bc42b40
https://doi.org/10.1021/acs.macromol.5b00940
https://doi.org/10.1021/acs.macromol.5b00940
Publikováno v:
Proceedings of the National Academy of Sciences of the United States of America, vol 114, iss 51
We have used molecular simulation and methods of importance sampling to study the thermodynamics and kinetics of ionic charge separation at a liquid water-metal interface. We have considered this process using canonical examples of two different clas
Externí odkaz:
https://explore.openaire.eu/search/publication?articleId=doi_dedup___::a4e5d9f18bedf857789774d948cdedf5
https://escholarship.org/uc/item/3pj4x0mw
https://escholarship.org/uc/item/3pj4x0mw
Publikováno v:
Angewandte Chemie. 126:12242-12246
Externí odkaz:
https://explore.openaire.eu/search/publication?articleId=doi_________::5583c4fdba66790ac24080376f609bbc
https://doi.org/10.1002/ange.201405648
https://doi.org/10.1002/ange.201405648
Publikováno v:
Angewandte Chemie International Edition. 53
Externí odkaz:
https://explore.openaire.eu/search/publication?articleId=doi_________::3af47118a517716864d079b6be27f9dd
https://doi.org/10.1002/anie.201484561
https://doi.org/10.1002/anie.201484561
Autor:
B. Reeja-Jayan, Nan Chen, Jonathan Lau, John A. Kattirtzi, Priya Moni, Andong Liu, Ian Graham Miller, Rick Kayser, Adam P. Willard, Bruce Dunn, Karen K. Gleason
Publikováno v:
Macromolecules; Aug2015, Vol. 48 Issue 15, p5222-5229, 8p
Publikováno v:
Journal of Physical Chemistry A; Jul2010, Vol. 114 Issue 26, p7179-7186, 8p