Zobrazeno 1 - 10
of 4 984
pro vyhledávání: '"A. Grochala"'
Autor:
Pueyo, Adrián Gómez, Sánchez, Jazmín Aragón, Degtev, Ilya, Temperini, Maria Eleonora, Jezierski, Daniel, Hogan, Conor, Caporale, Antonio, Di Gaspare, Luciana, Persichetti, Luca, De Seta, Monica, Grochala, Wojciech, Barone, Paolo, Camilli, Luca, Lorenzana, José
We use density functional theory calculations to characterize the early stages of fluorination of silver's (100) and (110) surfaces. In the Ag(100) surface, the hollow site is the most favorable for F adatoms. In the Ag(110) surface, three adsorption
Externí odkaz:
http://arxiv.org/abs/2411.09392
Based on the Density Functional Theory calculations, we propose a new pathway toward compounds featuring flat [AgF2] layers which mimic [CuO2] layers in high-temperature oxocuprate superconductor precursors. Calculations predict the dynamic (phonon)
Externí odkaz:
http://arxiv.org/abs/2410.15905
In this letter, we propose ternary nickel hydrides MNiH2 (M = Li, Na) as new materials that mimic cuprate physics but have important differences and interesting properties. Ni-H bands are wider than in oxides due to shorter bond lengths and covalency
Externí odkaz:
http://arxiv.org/abs/2409.06695
We have successfully prepared two novel mixed-valence compounds of silver, Ag(I)Ag(II)F3 and Ag(I)2Ag(II)F4. They may be considered to be long-sought strongly electron-overdoped Ag(II)F2. Their crystal structures indicate that both belong to the Clas
Externí odkaz:
http://arxiv.org/abs/2408.10753
We present a new compound in the silver cobalt fluoride system, featuring paramagnetic silver (d9) and high-spin cobalt (d6), synthesized by solid state method in an autoclave under F2 overpressure. Based on powder X ray diffraction, we determined th
Externí odkaz:
http://arxiv.org/abs/2402.17399
Autor:
Koteras, Kacper, Biesenkamp, Sebastian, Barone, Paolo, Mazej, Zoran, Tavcar, Gasper, Hansen, Thomas C., Lorenzana, Jose, Grochala, Wojciech, Braden, Markus
The crystal structure of KAgF3 was studied by powder neutron diffraction. KAgF3 exhibits at all temperatures an orthorhombic symmetry in space group Pnma that allows for several distortions with respect to the ideal cubic perovskite structure. At all
Externí odkaz:
http://arxiv.org/abs/2402.16518
Autor:
Jędraszczak, Paulina
Publikováno v:
Studia Medioznawcze / Media Studies. 69(2):169-172
Externí odkaz:
https://www.ceeol.com/search/article-detail?id=706585
Autor:
Babicz, Marek
Publikováno v:
Fides. Biuletyn Bibliotek Kościelnych / Fides. Bulletin of Church Libraries. 22(42 (1)):113-132
Externí odkaz:
https://www.ceeol.com/search/article-detail?id=544060
We apply a novel chemical capacitor setup to facilitate metallization of ionic hydrides, LiH and MgH2. It turns out that the amount of holes doped to a single layer of these materials may reach 0.72 per H atom without structure collapse; concomitant
Externí odkaz:
http://arxiv.org/abs/2311.18478
Autor:
Jezierski, Daniel, Grochala, Wojciech
We present theoretical study of relative stability as well as of the magnetic and electronic properties of AgF2 and CuF2, in two related structural forms: orthorhombic (ambient pressure form of AgF2) and monoclinic (ambient pressure form of CuF2), us
Externí odkaz:
http://arxiv.org/abs/2311.04566