Chemical ordering and surface segregation in Ni1-cPtc system: A theoretical study from the alloys to the nanoalloys
Sign Up to like & getrecommendations! Published in 2019 at "Results in Physics"
DOI: 10.1016/j.rinp.2019.102493
Abstract: Abstract Monte Carlo simulations within a Tight-Binding Ising Model (TBIM) have been performed on bulk, surfaces, and nanoclusters of Ni 1 - c Pt c alloys in order to describe and understand the competition between… read more here.
Keywords: surface segregation; segregation; chemical ordering; ordering surface ... See more keywords
Demystifying the Chemical Ordering of Multimetallic Nanoparticles
Sign Up to like & getrecommendations! Published in 2023 at "Accounts of Chemical Research"
DOI: 10.1021/acs.accounts.2c00646
Abstract: Conspectus Multimetallic nanoparticles (NPs) have highly tunable properties due to the synergy between the different metals and the wide variety of NP structural parameters such as size, shape, composition, and chemical ordering. The major problem… read more here.
Keywords: chemical ordering; methodology; model; multimetallic nps ... See more keywords
Understanding Chemical Ordering in Intermetallic Clathrates from Atomic Scale Simulations
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DOI: 10.1021/acs.chemmater.7b02686
Abstract: Intermetallic clathrates exhibit great variability with respect to elemental composition and distribution. While this provides a lot of flexibility for tuning properties, it also poses a challenge with regard to developing a comprehensive understanding of… read more here.
Keywords: clathrates atomic; chemical ordering; intermetallic clathrates; ordering intermetallic ... See more keywords