Dopant induced modulation in the structure and electronic properties of Au10 cluster-Reference-Cited by-同舟云学术

Dopant induced modulation in the structure and electronic properties of Au10 cluster

Published:2016 Issue:90 Volume:6 Page:87115-87123
ISSN:2046-2069
Container-title:RSC Advances
language:en
Short-container-title:RSC Adv.

Author:

Sidhu Lovepreet Singh¹²³⁴,Halder Antarip¹²³⁴,Rai Sandhya⁵⁶⁷⁴

Affiliation:

1. Center for Computational Natural Sciences and Bioinformatics

2. International Institute of Information Technology Hyderabad

3. Hyderabad

4. India

5. Theoretical Science Unit

6. Jawaharlal Nehru Centre for Advanced Scientific Research

7. Bengaluru

Abstract

DFT calculations at PBE0/SDD ∪ 6-31++G(d,p) level suggest that doped Au₁₀ clusters (with alkali and alkaline earth metals as dopants) are better potential candidates for use in heterogeneous catalysis.

Publisher

Royal Society of Chemistry (RSC)

Subject

General Chemical Engineering,General Chemistry

Link

http://pubs.rsc.org/en/content/articlepdf/2016/RA/C6RA20808H

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