Thermodynamically accessible titanium clusters TiN, N = 2–32-Reference-Cited by-同舟云学术

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Thermodynamically accessible titanium clusters TiN, N = 2–32

Published:2018 Issue:20 Volume:20 Page:13962-13973
ISSN:1463-9076
Container-title:Physical Chemistry Chemical Physics
language:en
Short-container-title:Phys. Chem. Chem. Phys.

Author:

Lazauskas Tomas¹²³⁴⁵^ORCID,Sokol Alexey A.¹²³⁴⁵^ORCID,Buckeridge John¹²³⁴⁵^ORCID,Catlow C. Richard A.¹²³⁴⁵,Escher Susanne G. E. T.¹²³⁴⁵^ORCID,Farrow Matthew R.¹²³⁴⁵,Mora-Fonz David⁶³⁷⁵,Blum Volker W.⁸⁹¹⁰¹¹^ORCID,Phaahla Tshegofatso M.¹²¹³¹⁴¹⁵,Chauke Hasani R.¹²¹³¹⁴¹⁵,Ngoepe Phuti E.¹²¹³¹⁴¹⁵,Woodley Scott M.¹²³⁴⁵^ORCID

Affiliation:

1. Kathleen Lonsdale Materials Chemistry

2. Department of Chemistry

3. University College London

4. London WC1H 0AJ

5. UK

6. Department of Physics and Astronomy

7. London WC1E 6BT

8. Department of Materials Science and Mechanical Engineering

9. Duke University

10. Durham

11. USA

12. Materials Modelling Centre

13. University of Limpopo

14. Sovenga 0727

15. South Africa

Abstract

We have performed a genetic algorithm search on the tight-binding interatomic potential energy surface (PES) for small Ti_N (N = 2–32) clusters.

Funder

Engineering and Physical Sciences Research Council

Royal Society

Publisher

Royal Society of Chemistry (RSC)

Subject

Physical and Theoretical Chemistry,General Physics and Astronomy

Link

http://pubs.rsc.org/en/content/articlepdf/2018/CP/C8CP00406D

Reference73 articles.

1. Electronic and Atomic Structure, and Magnetism of Transition-Metal Clusters

2. Quantum Mechanical Studies of Large Metal, Metal Oxide, and Metal Chalcogenide Nanoparticles and Clusters

3. Crystal structure prediction from first principles

4. Heterostructures of GaN with SiC and ZnO enhance carrier stability and separation in framework semiconductors

5. F. H. S. Froes , in Titanium Powder Metallurgy , ed. M. Qian and F. H. S. Froes , Elsevier , Boston , 2015 , pp. 1–19

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