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Size-dependent structure relations between nanotube and encapsulated nanocrystalстатья
Статья опубликована в высокорейтинговом журнале
Информация о цитировании статьи получена из
Scopus,
Web of Science
Статья опубликована в журнале из списка Web of Science и/или Scopus
Дата последнего поиска статьи во внешних источниках: 18 апреля 2017 г.
- Авторы: Eliseev Andrei A., Falaleev Nikolay S., Verbitskiy Nikolay I., Volykhov Andrey A., Yashina Lada V., Kumskov Andrey, Zhigalina Victoria G., Vasiliev Alexander L., Lukashin Alexey V., Sloan Jeremy
- Журнал: Nano Letters
- Том: 17
- Год издания: 2017
- Издательство: American Chemical Society
- Местоположение издательства: United States
- Первая страница: 805
- Последняя страница: 810
- DOI: 10.1021/acs.nanolett.6b04031
- Аннотация: 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 HRTEM 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 <100> growth direction till 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 SWNT 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.
- Добавил в систему: Волыхов Андрей Александрович