Zobrazeno 1 - 10
of 62
pro vyhledávání: '"Mohammad R Momeni"'
Publikováno v:
APL Materials, Vol 9, Iss 5, Pp 051109-051109-10 (2021)
Thermodynamics and kinetics of O2 adsorption and its impacts on structural features and conductive behavior of 2D π-stacked layered metal–organic frameworks (MOFs) are studied using periodic PBE-D3 quantum mechanical calculations. Our computed O2
Externí odkaz:
https://doaj.org/article/8e58e76fce1c4a7a9357e367271e1d9c
Autor:
Zeyu Zhang, Dylan S. Valente, Yuliang Shi, Dil K. Limbu, Mohammad R. Momeni, Farnaz A. Shakib
Publikováno v:
ACS Applied Materials & Interfaces. 15:9494-9507
Externí odkaz:
https://explore.openaire.eu/search/publication?articleId=doi_________::c88c28b498d115137fc8a3c75d828707
https://doi.org/10.1021/acsami.2c22665
https://doi.org/10.1021/acsami.2c22665
Publikováno v:
Chemistry of Materials. 34:7730-7740
Externí odkaz:
https://explore.openaire.eu/search/publication?articleId=doi_________::ce4fabce65378ec1889db63cc6b6c87b
https://doi.org/10.1021/acs.chemmater.2c00989
https://doi.org/10.1021/acs.chemmater.2c00989
Publikováno v:
ACS Applied Materials & Interfaces. 13:25270-25279
Two-dimensional (2D) π-stacked layered metal-organic frameworks (MOFs) are permanently porous and electrically conductive materials with easily tunable crystal structures. Here, we provide an accurate examination of the correlation between structura
Externí odkaz:
https://explore.openaire.eu/search/publication?articleId=doi_________::d83c9665724f5dfc658708ed721da302
https://doi.org/10.1021/acsami.1c04636
https://doi.org/10.1021/acsami.1c04636
Publikováno v:
Physical Chemistry Chemical Physics. 23:3135-3143
Molecular dynamics simulations combined with periodic electronic structure calculations are performed to decipher structural, thermodynamical and dynamical properties of the interfaced vs. confined water adsorbed in hexagonal 1D channels of the 2D la
Externí odkaz:
https://explore.openaire.eu/search/publication?articleId=doi_dedup___::228ce7d397a178e6f86c28061629fc16
https://doi.org/10.1039/d0cp05923d
https://doi.org/10.1039/d0cp05923d
Publikováno v:
Chemical Communications. 57:315-318
A combined quantum mechanics and classical molecular dynamics approach is used to unravel the effects of structural deformations and heterogeneity on catalytic activity of 2D π-stacked layered metal-organic frameworks. Theory predicts that the flexi
Externí odkaz:
https://explore.openaire.eu/search/publication?articleId=doi_dedup___::a492df54089261a4a633a736f0df2a24
https://doi.org/10.1039/d0cc07430f
https://doi.org/10.1039/d0cc07430f
Publikováno v:
Chemistry of Materials. 32:9664-9674
The flexible and ever-changing layered structure of electrically conductive 2D metal–organic frameworks (MOFs) poses a formidable challenge for establishing any structure–application relationship. ...
Externí odkaz:
https://explore.openaire.eu/search/publication?articleId=doi_________::b850d71af0622b6ddc287275c78d6e90
https://doi.org/10.1021/acs.chemmater.0c03331
https://doi.org/10.1021/acs.chemmater.0c03331
Autor:
Kamel Alimi, Claudio Amovilli, Felipe C.T. Antonio, Cassiano M. Aono, Jose J. Benitez, Arianna Binello, Ana Borrego-Sánchez, Sandra E. Brown, Otto V.M. Bueno, Vasily V. Buyadzhi, Norma A. Caballero-Concha, Mark E. Casida, María E. Castro Sánchez, Raissa L.G. Quintino Correa, Mauricio D. Coutinho-Neto, Giancarlo Cravotto, Renato D. da Cunha, Erica de Liandra-Salvador, Esther M.C. de Lima, Aguinaldo R. de Souza, Gabriel L.C. de Souza, Jhonathan R. de Souza, Otávio Aguiar Souza, Mateus M.Z. de Toledo, David Dell’Angelo, Franca M. Floris, Nauan F.S. Gasperin, Alexander V. Glushkov, Salvatore Guccione, Paula Homem-de-Mello, Olga Y. Khetselius, Maria G. Khrenova, Latévi M. Lawson Daku, Ekaterina S. Lokteva, Denis Magero, Liliana Mammino, Francisco J. Melendez Bustamante, Benedetta Mennucci, Penélope Merino-Montiel, Tarek Mestiri, Gabriel S. Mol, Mohammad R. Momeni Taheri, Nelaine Mora-Diez, Nelson H. Morgon, Lisset Noriega, Jose M. Perez-Aguilar, Caio M. Porto, Daniel Rinaldo, Anabel Romero López, C. Ignacio Sainz-Díaz, Júlio R. Sambrano, Miguel A. San-Miguel, Farnaz Alipour Shakib, Alexander N. Sofronkov, Andrey A. Svinarenko, Natalia P. Tarasova, Valentin B. Ternovsky, Cristina Tomasella, Vladimir G. Tsirelson
Externí odkaz:
https://explore.openaire.eu/search/publication?articleId=doi_________::351f43574c4d9c075e7347b0e68bf052
https://doi.org/10.1016/b978-0-12-819879-7.09986-4
https://doi.org/10.1016/b978-0-12-819879-7.09986-4
Most of chemistry in nanoporous materials with small pore sizes and windows is known to occur on the surface which is in immediate contact with substrate/solvent, rather than inside pores and channels. Here, we report the results of our comprehensive
Externí odkaz:
https://explore.openaire.eu/search/publication?articleId=doi_________::157f33e5cbab57e8c64ff14d1abaa325
https://doi.org/10.26434/chemrxiv-2021-0ccx8
https://doi.org/10.26434/chemrxiv-2021-0ccx8