Zobrazeno 1 - 5
of 5
pro vyhledávání: '"Masoomeh Keyhanian"'
Publikováno v:
Journal of Materials Chemistry A. 10:8846-8855
A density functional theory-based study was performed to investigate the stability of single-atom catalysts (SACs) over a series of O-terminated MXenes with the stoichiometry of M2CO2. Accordingly, we selected the first-row transition metals as adato
Externí odkaz:
https://explore.openaire.eu/search/publication?articleId=doi_dedup___::1dd0e8d07600ccbda340a5c1efa67350
https://doi.org/10.1039/d1ta10252d
https://doi.org/10.1039/d1ta10252d
Autor:
Masoomeh Keyhanian, Davood Farmanzadeh
Publikováno v:
Applied Surface Science. 587:152841
Externí odkaz:
https://explore.openaire.eu/search/publication?articleId=doi_________::b2d0d2a64d28b229cc443a7e9d3d8ace
https://doi.org/10.1016/j.apsusc.2022.152841
https://doi.org/10.1016/j.apsusc.2022.152841
Publikováno v:
Nanoscale advances. 3(10)
The relationship between core level binding energy shifts (ΔCLBEs), that can be experimentally determined by X-ray photoelectron spectroscopy, and chemical bonding is analyzed for a series of MXenes, a new family of two-dimensional materials with a
Externí odkaz:
https://explore.openaire.eu/search/publication?articleId=doi_dedup___::5abb7e2a057ae49e1ca2bc197f4b0f57
https://pubmed.ncbi.nlm.nih.gov/36134196
https://pubmed.ncbi.nlm.nih.gov/36134196
Autor:
Masoomeh Keyhanian, Davood Farmanzadeh
Publikováno v:
Theoretical Chemistry Accounts. 138
In the present research, the interaction between B12N12 and Zn12O12 nanocages and their Al-doped structures with amantadine antiviral drug were examined by employing density functional theory calculations in the gas phase and water environment. Based
Externí odkaz:
https://explore.openaire.eu/search/publication?articleId=doi_________::3d26038791b58f5e142b24c2a5a94a5b
https://doi.org/10.1007/s00214-018-2400-3
https://doi.org/10.1007/s00214-018-2400-3
Autor:
Masoomeh Keyhanian, Davood Farmanzadeh
Publikováno v:
Journal of Molecular Liquids. 294:111638
In the present study, the adsorption of aniline over the surface of all-boron B40 was examined through density functional theory. Moreover, to judge the impact of Mn and Fe transition metal atoms on the adsorption behavior of aniline, we scrutinized
Externí odkaz:
https://explore.openaire.eu/search/publication?articleId=doi_________::b90a15d5393e83eb7af597df902d6373
https://doi.org/10.1016/j.molliq.2019.111638
https://doi.org/10.1016/j.molliq.2019.111638