Universität zu Köln

Xie, Xiao-Ying, Xiao, Pin, Cao, Xiaoyan ORCID: 0000-0002-3438-575X, Fang, Wei-Hai ORCID: 0000-0002-1668-465X, Cui, Ganglong and Dolg, Michael ORCID: 0000-0002-0538-0837 (2018). The Origin of the Photoluminescence Enhancement of Gold-Doped Silver Nanoclusters: The Importance of Relativistic Effects and Heteronuclear Gold-Silver Bonds. Angew. Chem.-Int. Edit., 57 (31). S. 9965 - 9970. WEINHEIM: WILEY-V C H VERLAG GMBH. ISSN 1521-3773

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Abstract

The weak photoluminescence of silver nanoclusters prevents their broad application as luminescent nanomaterials. Recent experiments, however, have shown that gold doping can significantly enhance the photoluminescence intensity of Ag-29 nanoclusters but the molecular and physical origins of this effect remain unknown. Therefore, we have computationally explored the geometric and electronic structures of Ag-29 and gold-doped Ag29-xAux (x=1-5) nanoclusters in the S-0 and S-1 states. We found that 1)relativistic effects that are mainly due to the Au atoms play an important role in enhancing the fluorescence intensity, especially for highly doped Ag26Au3, Ag25Au4, and Ag24Au5, and that 2)heteronuclear Au-Ag bonds can increase the stability and regulate the fluorescence intensity of isomers of these gold-doped nanoclusters. These novel findings could help design doped silver nanoclusters with excellent luminescence properties.

Item Type:	Journal Article
Creators:	Creators Email ORCID ORCID Put Code Xie, Xiao-Ying UNSPECIFIED UNSPECIFIED UNSPECIFIED Xiao, Pin UNSPECIFIED UNSPECIFIED UNSPECIFIED Cao, Xiaoyan UNSPECIFIED orcid.org/0000-0002-3438-575X UNSPECIFIED Fang, Wei-Hai UNSPECIFIED orcid.org/0000-0002-1668-465X UNSPECIFIED Cui, Ganglong UNSPECIFIED UNSPECIFIED UNSPECIFIED Dolg, Michael UNSPECIFIED orcid.org/0000-0002-0538-0837 UNSPECIFIED
URN:	urn:nbn:de:hbz:38-179473
DOI:	10.1002/anie.201803683
Journal or Publication Title:	Angew. Chem.-Int. Edit.
Volume:	57
Number:	31
Page Range:	S. 9965 - 9970
Date:	2018
Publisher:	WILEY-V C H VERLAG GMBH
Place of Publication:	WEINHEIM
ISSN:	1521-3773
Language:	English
Faculty:	Faculty of Mathematics and Natural Sciences
Divisions:	Faculty of Mathematics and Natural Sciences > Department of Chemistry > Institute of Theoretical Chemistry
Subjects:	no entry
Uncontrolled Keywords:	Keywords Language OPTICAL-PROPERTIES; QUANTUM YIELD; NANOPARTICLES; CLUSTERS; COMPLEXES; AU; MONOLAYER; SUPERATOM; INSIGHTS; KERNEL Multiple languages Chemistry, Multidisciplinary Multiple languages
Refereed:	Yes
URI:	http://kups.ub.uni-koeln.de/id/eprint/17947