Size-Dependent Structure Relations between Nanotubes and Encapsulated Nanocrystals

Autor(en)

Andrei A. Eliseev, Nikolay S. Falaleev, Nikolay I. Verbitskiy, Andrei A. Volykhov, Lada V. Yashina, Andrei S. Kumskov, Victoria G. Zhigalina, Alexander L. Vasiliev, Alexey V. Lukashin, Jeremy Sloan, Nikolay A. Kiselev

Abstrakt

The structural organization of compounds in a confined space of nanometer-scale cavities is of fundamental importance for understanding the basic principles for atomic structure design at the nanolevel. Here, we explore size-dependent structure relations between one-dimensional PbTe nanocrystals and carbon nanotube containers in the diameter range of 2.0-1.25 nm using high-resolution transmission electron microscopy and ab initio calculations. Upon decrease of the confining volume, one-dimensional crystals reveal gradual thinning, with the structure being cut from the bulk in either a <110> or a <100> growth direction until a certain limit of ∼1.3 nm. This corresponds to the situation when a stoichiometric (uncharged) crystal does not fit into the cavity dimensions. As a result of the in-tube charge compensation, one-dimensional superstructures with nanometer-scale atomic density modulations are formed by a periodic addition of peripheral extra atoms to the main motif. Structural changes in the crystallographic configuration of the composites entail the redistribution of charge density on single-walled carbon nanotube walls and the possible appearance of the electron density wave. The variation of the potential attains 0.4 eV, corresponding to charge density fluctuations of 0.14 e/atom.

Organisation(en)

Elektronische Materialeigenschaften

Externe Organisation(en)

Lomonosov Moscow State University (MSU), Russian Academy of Sciences, Russian Research Centre Kurchatov Institute, University of Warwick

Journal

Nano Letters: a journal dedicated to nanoscience and nanotechnology

Band

17

Seiten

805-810

Anzahl der Seiten

6

ISSN

1530-6984

DOI

https://doi.org/10.1021/acs.nanolett.6b04031

Publikationsdatum

02-2017

Peer-reviewed

Ja

ÖFOS 2012

103020 Oberflächenphysik, 103018 Materialphysik, 103009 Festkörperphysik

Schlagwörter

ASJC Scopus Sachgebiete

Condensed Matter Physics, Mechanical Engineering, Bioengineering, Allgemeine Chemie, Allgemeine Materialwissenschaften

Link zum Portal

https://ucrisportal.univie.ac.at/de/publications/ee85b610-0aca-4874-87f5-3dc690564cb6