Mapping the Atomistic Structure of Graded Core/Shell Colloidal Nanocrystals
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In: Scientific reports (London : Nature Publishing Group), Vol. 7.2017, No. 1, 11718, 15.09.2017.
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TY - JOUR
T1 - Mapping the Atomistic Structure of Graded Core/Shell Colloidal Nanocrystals
AU - Yarema, Maksym
AU - Xing, Yunhua
AU - Lechner, Rainer T.
AU - Ludescher, Lukas
AU - Dordevic, Nikola
AU - Lin, Weyde M.M.
AU - Yarema, Olesya
AU - Wood, Vanessa
PY - 2017/9/15
Y1 - 2017/9/15
N2 - Engineering the compositional gradient for core/shell semiconductor nanocrystals improves their optical properties. To date, however, the structure of graded core/shell nanocrystal emitters has only been qualitatively described. In this paper, we demonstrate an approach to quantify nanocrystal structure, selecting graded Ag-In-Se/ZnSe core/shell nanocrystals as a proof-of-concept material. A combination of multi-energy small-angle X-ray scattering and electron microscopy techniques enables us to establish the radial distribution of ZnSe with sub-nanometer resolution. Using ab initio shape-retrieval analysis of X-ray scattering spectra, we further determine the average shape of nanocrystals. These results allow us to generate three-dimensional, atomistic reconstructions of graded core/shell nanocrystals. We use these reconstructions to calculate solid-state Zn diffusion in the Ag-In-Se nanocrystals and the lattice mismatch between nanocrystal monolayers. Finally, we apply these findings to propose design rules for optimal shell structure and record-luminescent core/shell nanocrystals.
AB - Engineering the compositional gradient for core/shell semiconductor nanocrystals improves their optical properties. To date, however, the structure of graded core/shell nanocrystal emitters has only been qualitatively described. In this paper, we demonstrate an approach to quantify nanocrystal structure, selecting graded Ag-In-Se/ZnSe core/shell nanocrystals as a proof-of-concept material. A combination of multi-energy small-angle X-ray scattering and electron microscopy techniques enables us to establish the radial distribution of ZnSe with sub-nanometer resolution. Using ab initio shape-retrieval analysis of X-ray scattering spectra, we further determine the average shape of nanocrystals. These results allow us to generate three-dimensional, atomistic reconstructions of graded core/shell nanocrystals. We use these reconstructions to calculate solid-state Zn diffusion in the Ag-In-Se nanocrystals and the lattice mismatch between nanocrystal monolayers. Finally, we apply these findings to propose design rules for optimal shell structure and record-luminescent core/shell nanocrystals.
UR - http://www.scopus.com/inward/record.url?scp=85029506586&partnerID=8YFLogxK
U2 - 10.1038/s41598-017-11996-2
DO - 10.1038/s41598-017-11996-2
M3 - Article
AN - SCOPUS:85029506586
VL - 7.2017
JO - Scientific reports (London : Nature Publishing Group)
JF - Scientific reports (London : Nature Publishing Group)
SN - 2045-2322
IS - 1
M1 - 11718
ER -