Resolving Multielement Semiconductor Nanocrystals at the Atomic Level : Complete Deciphering of Domains and Order in Complex CuαZnβSnγSeδ (CZTSe) Tetrapods

Semiconductor nanocrystals (NCs) with high elemental and structural complexity can be engineered to tailor for electronic, photovoltaic, thermoelectric, and battery applications etc. However, this greater complexity causes ambiguity in the atomic structure understanding. This in turn hinders the mechanistic studies of nucleation and growth, the theoretical calculations of functional properties, and the capability to extend functional design across complementary semiconductor nanocrystals. Herein, we successfully deciphered the atomic arrangements of 4 different nanocrystal domains in CuαZnβSnγSeδ (CZTSe) nanocrystals using crucial zone axis analysis on multiple crystals in different orientations. The results show that the essence of crystallographic progression from binary to multielemental semiconductors is actually the change of theoretical periodicity. This transition is caused by decreased symmetry in the crystal instead of previously assumed crystal deformation. We further reveal that these highly complex crystalline entities have highly ordered element arrangements as opposed to the previous understanding that their elemental orderings are random.

Medienart:

E-Artikel

Erscheinungsjahr:

2024

Erschienen:

2024

Enthalten in:

Zur Gesamtaufnahme - volume:24

Enthalten in:

Nano letters - 24(2024), 7 vom: 21. Feb., Seite 2125-2130

Sprache:

Englisch

Beteiligte Personen:

Ren, Huan [VerfasserIn]
Sun, Yuanwei [VerfasserIn]
Hoffmann, Frank [VerfasserIn]
Vandichel, Matthias [VerfasserIn]
Adegoke, Temilade E [VerfasserIn]
Liu, Ning [VerfasserIn]
McCarthy, Conor [VerfasserIn]
Gao, Peng [VerfasserIn]
Ryan, Kevin M [VerfasserIn]

Links:

Volltext

Themen:

Atomic structure
Bravais lattice
Chemical ordering
First-principle calculation
Journal Article
Semiconductor modeling
Semiconductor nanocrystal

Anmerkungen:

Date Revised 21.02.2024

published: Print-Electronic

Citation Status PubMed-not-MEDLINE

doi:

10.1021/acs.nanolett.3c02810

funding:

Förderinstitution / Projekttitel:

PPN (Katalog-ID):

NLM368314375