Zobrazeno 1 - 10
of 26
pro vyhledávání: '"Pezhman Zarabadi-Poor"'
Autor:
Sebastiaan P. Huber, Emanuele Bosoni, Marnik Bercx, Jens Bröder, Augustin Degomme, Vladimir Dikan, Kristjan Eimre, Espen Flage-Larsen, Alberto Garcia, Luigi Genovese, Dominik Gresch, Conrad Johnston, Guido Petretto, Samuel Poncé, Gian-Marco Rignanese, Christopher J. Sewell, Berend Smit, Vasily Tseplyaev, Martin Uhrin, Daniel Wortmann, Aliaksandr V. Yakutovich, Austin Zadoks, Pezhman Zarabadi-Poor, Bonan Zhu, Nicola Marzari, Giovanni Pizzi
Publikováno v:
npj Computational Materials, Vol 7, Iss 1, Pp 1-12 (2021)
Abstract The prediction of material properties based on density-functional theory has become routinely common, thanks, in part, to the steady increase in the number and robustness of available simulation packages. This plurality of codes and methods
Externí odkaz:
https://doaj.org/article/ef56a83500024ae0acb300450c076df1
Autor:
Sabrina Panter, Pezhman Zarabadi-Poor
Publikováno v:
ACS Omega, Vol 3, Iss 12, Pp 18535-18541 (2018)
Externí odkaz:
https://doaj.org/article/741f04f8cb0c4a4baf7b798b9290b97f
Lithium-rich oxide cathodes lose energy density during cycling due to atomic disordering and nanoscale structural rearrangements, both of which are challenging to characterise. Here we use a combined approach of ab initio molecular dynamics and clust
Externí odkaz:
https://explore.openaire.eu/search/publication?articleId=doi_________::d5f7287d9e9e5cb75a722de9238815ae
https://doi.org/10.26434/chemrxiv-2023-9v2dw
https://doi.org/10.26434/chemrxiv-2023-9v2dw
Autor:
Pezhman Zarabadi-Poor, Jungwoo Lim, Xuefei Wang, Joshua D Bocarsly, Luke M Daniels, Ioanna M Pateli, Ruiyong Chen, John B Claridge, Clare P Grey, Benjamin J Morgan, Laurence J Hardwick, Matthew J Rosseinsky, M Saiful Islam
In the search for novel positive electrode materials for lithium-ion cells, Li-rich sulfides are attracting increasing interest. Despite the success of polyoxyanion-based cathodes such as LiFePO4, their thiophosphate counterparts have remained largel
Externí odkaz:
https://explore.openaire.eu/search/publication?articleId=doi_________::2647af28bfadc5f5a4cafc7f4392d40d
https://doi.org/10.26434/chemrxiv-2023-rl5ll
https://doi.org/10.26434/chemrxiv-2023-rl5ll
Autor:
Pezhman Zarabadi-Poor, Rakesh Puttreddy, Filip Topić, Ondřej Jurček, Hendrik V. Schröder, Pia Jurček, Kari Rissanen, Radek Marek
Publikováno v:
Crystal Growth & Design. 20:4193-4199
Native and synthetically modified cyclodextrins (CDs) are useful building blocks in the construction of large coordination complexes and porous materials with various applications. Sandwich-type co...
Externí odkaz:
https://explore.openaire.eu/search/publication?articleId=doi_________::09f2407ecee2d10a57500ac9eabb15f7
https://doi.org/10.1021/acs.cgd.0c00532
https://doi.org/10.1021/acs.cgd.0c00532
Autor:
Radek Marek, Pezhman Zarabadi-Poor
Publikováno v:
ACS Applied Materials & Interfaces. 11:16261-16265
The established criteria for identifying MOF vs non-MOF structures among what will soon be one million CSD entries and for applying scripts to remove “solvent” are very useful and effective. However, the procedure for removing “solvent” shoul
Externí odkaz:
https://explore.openaire.eu/search/publication?articleId=doi_________::7c2643331a434cb883f18142b45c40b2
https://doi.org/10.1021/acsami.8b15684
https://doi.org/10.1021/acsami.8b15684
Autor:
Pezhman Zarabadi-Poor, Radek Marek
Publikováno v:
The Journal of Physical Chemistry C. 123:3469-3475
About 500 metal–organic frameworks (MOFs) were subject to in silico screening for helium separation from natural gas. The equimolar mixture of helium and nitrogen was selected based on the available technical data for operating units. Geometry-base
Externí odkaz:
https://explore.openaire.eu/search/publication?articleId=doi_________::4ee8df02d1eb756f2be73216c8dba59c
https://doi.org/10.1021/acs.jpcc.8b07804
https://doi.org/10.1021/acs.jpcc.8b07804
Autor:
Pezhman Zarabadi-Poor, Sabrina Panter
Publikováno v:
ACS Omega, Vol 3, Iss 12, Pp 18535-18541 (2018)
ACS Omega
ACS Omega
Metal–organic frameworks (MOFs) found their well-deserved position in the field of gas adsorption and separation because of their unique properties. The separation of xenon from different gas mixtures containing this valuable and essential noble ga
Externí odkaz:
https://explore.openaire.eu/search/publication?articleId=doi_dedup___::e28f8c0391dbb333fb2adb9453d37719
https://doi.org/10.1021/acsomega.8b03014
https://doi.org/10.1021/acsomega.8b03014
Autor:
Pezhman Zarabadi-Poor, Radek Marek
Publikováno v:
ACS Sustainable Chemistry & Engineering. 6:15001-15006
Xenon is considered a great inhalation anesthetic gas. However, its worldwide usage is limited because of its shortage and the related high price. Advanced materials, such as metal–organic frameworks (MOFs), used to recover xenon from an exhaled an
Externí odkaz:
https://explore.openaire.eu/search/publication?articleId=doi_________::7a67c933d9975ce425d1561b50217bc3
https://doi.org/10.1021/acssuschemeng.8b03475
https://doi.org/10.1021/acssuschemeng.8b03475
Publikováno v:
RSC Advances
Emission of CO2 is considered as one of the sources of global warming. Besides its currently inevitable production via several processes such as fuel consumption, it also exists in some other gaseous mixtures like biogas. Separation of carbon dioxide
Externí odkaz:
https://explore.openaire.eu/search/publication?articleId=doi_dedup___::4e1c27ca52f4236246c4d4c76733c9e3