Published in
Royal Society of Chemistry, RSC Advances, 119(5), p. 98583-98592
DOI: 10.1039/c5ra12428j
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A DFT study of the chemical and optical properties of 7-atom Ag–X [X = Li, Na] nanoalloys for potential applications in opto-electronics and catalysis
Journal article published in 2015 by
Shaikat Debnath,
Suhana Mohd Said,
Franck Rabilloud 
,
Abhijit Chatterjee,
Muhammad Faris Roslan,
Azizah Mainal,
Mohamad Syafie Mahmood
,
Abhijit Chatterjee,
Muhammad Faris Roslan,
Azizah Mainal,
Mohamad Syafie Mahmood
This paper is made freely available by the publisher.
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Abstract
In this paper, Ag atoms are substituted by X (Li, Na) atoms to form AgmX(7−m) clusters to explore their electronic, chemical and optical properties in the framework of density functional theory (DFT).