The ABC of Generalized Coordination Numbers and Their Use as a Descriptor in Electrocatalysis.
Sign Up to like & getrecommendations! Published in 2023 at "Advanced science"
DOI: 10.1002/advs.202207644
Abstract: The quest for enhanced electrocatalysts can be boosted by descriptor-based analyses. Because adsorption energies are the most common descriptors, electrocatalyst design is largely based on brute-force routines that comb materials databases until an energetic criterion… read more here.
Keywords: use descriptor; generalized coordination; coordination numbers; numbers use ... See more keywords
The random distribution of the coordination numbers in the mixed spin-1/2 and spin-2 Blume-Capel model
Sign Up to like & getrecommendations! Published in 2018 at "Chinese Journal of Physics"
DOI: 10.1016/j.cjph.2018.07.002
Abstract: Abstract The effects of random distribution of coordination numbers are investigated for the mixed spin-1/2 and spin-2 Blume-Capel model on the Bethe lattice in terms of exact recursion relations. The usual coordination numbers, i.e. q… read more here.
Keywords: coordination; coordination numbers; random distribution; model ... See more keywords
Effective coordination numbers from EXAFS: general approaches for lanthanide and actinide dioxides
Sign Up to like & getrecommendations! Published in 2022 at "Journal of Synchrotron Radiation"
DOI: 10.1107/s160057752101300x
Abstract: New experimental EXAFS results for PuO2 and CeO2 nanoparticles in the size range of 2 nm were compared with published data for other lanthanide and actinide dioxides. A conceptual core-shell model with a calculated effective coordination… read more here.
Keywords: effective coordination; actinide dioxides; coordination numbers; numbers exafs ... See more keywords