Cargando…
A GGA + U investigation into the effects of cations on the electromagnetic properties of transition metal spinels
Spinel oxides are promising low-cost catalysts with manifold and controllable physicochemical properties. Trial and error strategies cannot achieve the effective screening of high-performance spinel catalysts. Therefore, unraveling the structure–performance relationship is the foundation for their r...
Autores principales: | Li, Chunyu, Li, Peng, Li, Leyun, Wang, Dingjia, Gao, Xingfa, Gao, Xuejiao J. |
---|---|
Formato: | Online Artículo Texto |
Lenguaje: | English |
Publicado: |
The Royal Society of Chemistry
2021
|
Materias: | |
Acceso en línea: | https://www.ncbi.nlm.nih.gov/pmc/articles/PMC9034137/ https://www.ncbi.nlm.nih.gov/pubmed/35478785 http://dx.doi.org/10.1039/d1ra03621a |
Ejemplares similares
-
First-Principles Study on Electronic, Magnetic, Optical, Mechanical, and Thermodynamic Properties of Semiconducting Gadolinium Phosphide in GGA, GGA+U, mBJ, GGA+SOC and GGA+SOC+U approaches
por: Lone, Ikram Un Nabi, et al.
Publicado: (2021) -
Enantioselective transition metal catalysis directed by chiral cations
por: Ye, Xinyi, et al.
Publicado: (2020) -
Tuning of spinel magnesium ferrite nanoparticles with enhanced magnetic properties
por: Zheng, Liyun, et al.
Publicado: (2018) -
Mononuclear Transition Metal Cymantrenecarboxylates as Precursors for Spinel-Type Manganites
por: Koroteev, Pavel S., et al.
Publicado: (2022) -
Hydrogenation of CO to olefins over a supported iron catalyst on MgAl(2)O(4) spinel: effects of the spinel synthesis method
por: Wang, Yu, et al.
Publicado: (2020)