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-Reference-Cited by-同舟云学术

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

Published:2015 Issue:119 Volume:5 Page:98583-98592
ISSN:2046-2069
Container-title:RSC Advances
language:en
Short-container-title:RSC Adv.

Author:

Debnath Shaikat¹²³⁴⁵,Said Suhana Mohd¹²³⁴⁵,Rabilloud Franck⁶⁷⁸⁹¹⁰,Chatterjee Abhijit¹¹¹²¹³,Roslan Muhammad Faris¹²³⁴⁵,Mainal Azizah¹⁴¹⁵³⁴⁵,Mahmood Mohamad Syafie¹²³⁴⁵

Affiliation:

1. Department of Electrical Engineering

2. Faculty of Engineering

3. University of Malaya

4. Kuala Lumpur 50603

5. Malaysia

6. Institut Lumière Matière

7. UMR5306 Université Claude Bernard Lyon 1-CNRS

8. Université de Lyon

9. 69622 Villeurbanne cedex

10. France

11. Materials Science

12. Tokyo 100-0013

13. Japan

14. Department of Chemistry

15. Faculty of Science

Abstract

In this paper, Ag atoms are substituted by X (Li, Na) atoms to form Ag_mX_(7−m) clusters to explore their electronic, chemical and optical properties in the framework of density functional theory (DFT).

Publisher

Royal Society of Chemistry (RSC)

Subject

General Chemical Engineering,General Chemistry

Link

http://pubs.rsc.org/en/content/articlepdf/2015/RA/C5RA12428J

Reference51 articles.

1. Nanoscale alloys and core-shell materials: Model predictions of the nanostructure and mechanical properties

2. Nanoalloys: From Theory to Applications of Alloy Clusters and Nanoparticles

3. The Nature of the Metal-Metal Bond in Bimetallic Surfaces

4. Immuno Gold Nanocages with Tailored Optical Properties for Targeted Photothermal Destruction of Cancer Cells

5. Properties of Small Bimetallic Ni−Cu Clusters

Cited by 3 articles. 订阅此论文施引文献订阅此论文施引文献，注册后可以免费订阅5篇论文的施引文献，订阅后可以查看论文全部施引文献

1. Ab-initio calculations of chemical and optoelectronic properties of 7-atom Pt-Y [Y = Li, Na, K];Journal of Nanoparticle Research;2019-05

2. DFT calculations on subnanometric metal catalysts: a short review on new supported materials;Theoretical Chemistry Accounts;2018-03-23

3. Dielectric properties of silver-containing photo-thermo-refractive glass in temperature range of − 50 to + 250 °C: The role of hybrid molecular clusters;Journal of Non-Crystalline Solids;2017-04