Crystal and electronic facet analysis of ultrafine Ni₂P particles by solid-state NMR nanocrystallography.

ABSTRACT: Structural and morphological control of crystalline nanoparticles is crucial in the field of heterogeneous catalysis and the development of "reaction specific" catalysts. To achieve this, colloidal chemistry methods are combined with ab initio calculations in order to define the reaction parameters, which drive chemical reactions to the desired crystal nucleation and growth path. Key in this procedure is the experimental verification of the predicted crystal facets and their corresponding electronic structure, which in case of nanostructured materials becomes extremely difficult. Here, by employing ³¹P solid-state nuclear magnetic resonance aided by advanced density functional theory calculations to obtain and assign the Knight shifts, we succeed in determining the crystal and e

SUBMITTER: Papawassiliou W 

PROVIDER: S-EPMC8282690 | biostudies-literature | 2021 Jul

REPOSITORIES: biostudies-literature