Universität zu Köln

Fedoseeva, Yuliya V., Orekhov, Andrey S., Chekhova, Galina N., Koroteev, Victor O., Kanygin, Mikhail A., Seovskiy, Boris V., Chuvilin, Andrey ORCID: 0000-0002-3712-5638, Pontiroli, Daniele, Ricco, Mauro ORCID: 0000-0002-6879-2687, Bulusheva, Lyubov G. and Okotrub, Alexander V. (2017). Single-Walled Carbon Nanotube Reactor for Redox Transformation of Mercury Dichloride. ACS Nano, 11 (9). S. 8643 - 8650. WASHINGTON: AMER CHEMICAL SOC. ISSN 1936-086X

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Abstract

Single-walled carbon nanotubes (SWCNTs) possessing a confined inner space protected by chemically resistant shells are promising for delivery, storage, and desorption of various compounds, as well as carrying out specific reactions. Here, we show that SWCNTs interact with molten mercury dichloride (HgCl2) and guide its transformation into dimercury dichloride (Hg2Cl2) in the cavity. The chemical state of host SWCNTs remains almost unchanged except for a small p-doping from the guest Hg2Cl2 nanocrystals. The density functional theory calculations reveal that the encapsulated HgCl2 molecules become negatively charged and start interacting via chlorine bridges when local concentration increases. This reduces the bonding strength in HgCl2, which facilitates removal of chlorine, finally leading to formation of Hg2Cl2 species. The present work demonstrates that SWCNTs not only serve as a template for growing nanocrystals but also behave as an electron-transfer catalyst in the spatially confined redox reaction by donation of electron density for temporary use by the guests.

Item Type:	Journal Article
Creators:	Creators Email ORCID ORCID Put Code Fedoseeva, Yuliya V. UNSPECIFIED UNSPECIFIED UNSPECIFIED Orekhov, Andrey S. UNSPECIFIED UNSPECIFIED UNSPECIFIED Chekhova, Galina N. UNSPECIFIED UNSPECIFIED UNSPECIFIED Koroteev, Victor O. UNSPECIFIED UNSPECIFIED UNSPECIFIED Kanygin, Mikhail A. UNSPECIFIED UNSPECIFIED UNSPECIFIED Seovskiy, Boris V. UNSPECIFIED UNSPECIFIED UNSPECIFIED Chuvilin, Andrey UNSPECIFIED orcid.org/0000-0002-3712-5638 UNSPECIFIED Pontiroli, Daniele UNSPECIFIED UNSPECIFIED UNSPECIFIED Ricco, Mauro UNSPECIFIED orcid.org/0000-0002-6879-2687 UNSPECIFIED Bulusheva, Lyubov G. UNSPECIFIED UNSPECIFIED UNSPECIFIED Okotrub, Alexander V. UNSPECIFIED UNSPECIFIED UNSPECIFIED
URN:	urn:nbn:de:hbz:38-220521
DOI:	10.1021/acsnano.7b04361
Journal or Publication Title:	ACS Nano
Volume:	11
Number:	9
Page Range:	S. 8643 - 8650
Date:	2017
Publisher:	AMER CHEMICAL SOC
Place of Publication:	WASHINGTON
ISSN:	1936-086X
Language:	English
Faculty:	Unspecified
Divisions:	Unspecified
Subjects:	no entry
Uncontrolled Keywords:	Keywords Language S(N)2 REACTION; MOLECULES; MECHANISM; CRYSTALS; ELECTRON; IRON; CL Multiple languages Chemistry, Multidisciplinary; Chemistry, Physical; Nanoscience & Nanotechnology; Materials Science, Multidisciplinary Multiple languages
Refereed:	Yes
URI:	http://kups.ub.uni-koeln.de/id/eprint/22052