Unusual ferrimagnetic ground state in rhenium ferrite

Autor: Assadi, MHN, Fronzi, M, Hanaor, DAH

Through comprehensive density functional calculations, we predict the stability of a rhenium-based ferrite, ReFe2O4, in a distorted spinel-based structure. In ReFe2O4, all Re and half of the Fe ions occupy the octahedral sites while the remaining Fe

Externí odkaz: https://explore.openaire.eu/search/publication?articleId=od_______363::1ac4d523003891f89f3e2859a7dbd2f2
https://hdl.handle.net/10453/163655

High-Performance Thermoelectric Oxides Based on Spinel Structure

Autor: Assadi, MHN, Gutiérrez Moreno, JJ, Fronzi, M

© 2020 American Chemical Society. High-performance thermoelectric oxides could offer a great energy solution for integrated and embedded applications in sensing and electronics industries. Oxides, however, often suffer from low Seebeck coefficient w

Externí odkaz: https://explore.openaire.eu/search/publication?articleId=od_______363::dce39829760f1b78870777307ee9bc77
https://hdl.handle.net/10453/142134

Suppression of magnetism and Seebeck effect in Na0.875CoO2 induced by SbCo dopants

Autor: Assadi MHN, Mele P, Fronzi M

© 2020, The Author(s). We examined the electronic property of Sb-doped Na0.785CoO2 using density functional calculations based on GGA+U formalism. We demonstrated that Sb dopants were the most stable when replacing Co ions within the complex Na0.875

Externí odkaz: https://explore.openaire.eu/search/publication?articleId=od_______363::fe19b202762cf829002f79d929282c7e
https://hdl.handle.net/10453/143437

Ab Initio Investigation of Water Adsorption and Hydrogen Evolution on Co9S8 and Co3S4 Low-Index Surfaces

Autor: Fronzi, M, Assadi, MHN, Ford, MJ

Copyright © 2018 American Chemical Society. We used density functional theory approach, with the inclusion of a semiempirical dispersion potential to take into account van der Waals interactions, to investigate the water adsorption and dissociation

Externí odkaz: https://explore.openaire.eu/search/publication?articleId=od_______363::e77c1b932d07f83de406cfe656bc50e2
https://hdl.handle.net/10453/128185

Catalytic Synergy between Pd Nanoclusters and Ligand-Functionalized Layered Silicates for Improved Formic Acid Dehydrogenation.

Autor: Doustkhah E; Chemistry Department, Faculty of Engineering and Natural Sciences, Istinye University, Sariyer, Istanbul 34396, Türkiye., Yusufoğlu M; Koç University Tüpraş Energy Center (KUTEM), Istanbul 34450, Türkiye.; Materials Science and Engineering, Koç University, Istanbul 34450, Türkiye.; Research Center for Materials Nanoarchitechtonics (MANA), National Institute for Materials Science (NIMS), 1-1 Namiki, Tsukuba, Ibaraki 305-0044, Japan., El-Hosainy H; Research Center for Materials Nanoarchitechtonics (MANA), National Institute for Materials Science (NIMS), 1-1 Namiki, Tsukuba, Ibaraki 305-0044, Japan.; Institute of Nanoscience and Nanotechnology, Kafrelsheikh University, Kafrelsheikh 33511, Egypt., Zarenezhad H; Koç University Tüpraş Energy Center (KUTEM), Istanbul 34450, Türkiye., Ide Y; Research Center for Materials Nanoarchitechtonics (MANA), National Institute for Materials Science (NIMS), 1-1 Namiki, Tsukuba, Ibaraki 305-0044, Japan.; Graduate School of Engineering Science, Yokohama National University, 79-5 Tokiwadai, Hodogaya-ku, Yokohama 240-8501, Japan., Gutiérrez Moreno JJ; Barcelona Supercomputing Center, Plaça d'Eusebi Güell, 1-3, Barcelona 08034, Spain., Assadi MHN; Chemistry Department, Faculty of Engineering and Natural Sciences, Istinye University, Sariyer, Istanbul 34396, Türkiye.; RIKEN Center for Emergent Matter Science (CEMS), 2-1 Hirosawa, Wako, Saitama351-0198, Japan.

Publikováno v: ACS applied materials & interfaces [ACS Appl Mater Interfaces] 2024 Nov 27; Vol. 16 (47), pp. 64736-64744. Date of Electronic Publication: 2024 Nov 18.