Zobrazeno 1 - 10
of 1 682
pro vyhledávání: '"Assadi, M."'
Publikováno v:
Chemical Physics Letters, 2022, Volume 801, 139694
Using density functional calculations, we examine insertion/extraction of Mg ions in Mg3Bi2, an interesting Mg-ion battery anode. We found that a (1 1 0) facet is the most stable termination. Vacating a Mg2+ ion from the octahedral site is more favou
Externí odkaz:
http://arxiv.org/abs/2209.11513
Publikováno v:
Ind. Eng. Chem. Res. 2014, 53, 10, 3861-3864
The scarcity of fossil fuels as carbon resources has motivated the steelmaking industry to search for new carbon sources such as end-of-life polymeric products. Using $\textit{ab initio}$ molecular dynamics simulation, we demonstrate that 41% of poly
Externí odkaz:
http://arxiv.org/abs/2204.08706
Publikováno v:
Journal of Analytical and Applied Pyrolysis 110, 318-321, 2014
Using molecular dynamics simulation, we present a comprehensive study of the volatile thermal degradation of high-density polyethylene (HDPE) across a temperature range of 300 K to 1823 K. We find that degradation at temperatures higher than $\sim$ 1
Externí odkaz:
http://arxiv.org/abs/2204.08253
Publikováno v:
Eur. Phys. J. Plus (2022) 137: 21
Through comprehensive density functional calculations, we predict the stability of a rhenium-based ferrite
Externí odkaz:
http://arxiv.org/abs/2202.08115
Autor:
Assadi, M. Hussein N., Moreno, José Julio Gutiérrez, Hanaor, Dorian A. H., Katayama-Yoshida, Hiroshi
Publikováno v:
Phys. Chem. Chem. Phys., 2021, 23, 20129-20137
The significance of the spin-orbit interaction is very well known in compounds containing heavier elements such as the rare-earth Eu ion. Here, through density functional calculations, we investigated the effect of the spin-orbit interaction on the m
Externí odkaz:
http://arxiv.org/abs/2202.01453
Publikováno v:
In Journal of Magnetism and Magnetic Materials 1 July 2024 601
Autor:
Assadi, M. Hussein N.
Publikováno v:
J. Phys.: Condens. Matter 32 125502 (2020)
Doping is considered to be the main method for improving the thermoelectric performance of layered sodium cobaltate (Na$_{1-x}$CoO$_2$). However, in the vast majority of past reports, the equilibrium location of the dopant in the Na$_{1-x}$CoO$_2$'s
Externí odkaz:
http://arxiv.org/abs/2106.12716
Publikováno v:
Chemical Physics, Volume 443, 31 October 2014, Pages 107-111
Environmental concerns are the chief drive for more innovative recycling techniques for end-of-life polymeric products. One attractive option is taking advantage of C and H content of polymeric waste in steelmaking industry. In this work, we examined
Externí odkaz:
http://arxiv.org/abs/2106.12722
Autor:
Coletta, Vitor C., Goncalves, Renato V., Bernardi, Maria I. B., Hanaor, Dorian A. H., Assadi, M. Hussein N., Marcos, Francielle C. F., Nogueira, Francisco G. E., Assaf, Elisabete M., Mastelaro, Valmor R.
Publikováno v:
ACS Applied Energy Materials 2021, 4, 1, 452 - 461
The water gas shift reaction (WGS) is important and widely applied in the production of H2. Cu modified perovskites are promising catalysts for WGS reactions in hydrogen generation. However, the structure-dependent stability and reaction pathways of
Externí odkaz:
http://arxiv.org/abs/2104.06739
Autor:
Doustkhah, Esmail, Tahawy, Rafat, Simon, Ulla, Tsunoji, Nao, Hanaor, Yusuke Ide Dorian A. H., Assadi, M. Hussein N.
Publikováno v:
Chemosphere, 2021, Volume 276, 130181
Microporous organosilicas assembled from polysilsesquioxane (POSS) building blocks are promising materials that are yet to be explored in-depth. Here, we investigate the processing and molecular structure of bispropylurea bridged POSS (POSS-urea), sy
Externí odkaz:
http://arxiv.org/abs/2104.06715