Experimental and theoretical evidence of charge transfer in multi-component alloys – how chemical interactions reduce atomic size mismatch-Reference-Cited by-同舟云学术

Experimental and theoretical evidence of charge transfer in multi-component alloys – how chemical interactions reduce atomic size mismatch

Published:2021 Issue:15 Volume:5 Page:5746-5759
ISSN:2052-1537
Container-title:Materials Chemistry Frontiers
language:en
Short-container-title:Mater. Chem. Front.

Author:

Casillas-Trujillo Luis¹²³⁴⁵,Osinger Barbara⁶⁷⁸⁹⁵^ORCID,Lindblad Rebecka⁶⁷⁸⁹⁵^ORCID,Karlsson Dennis⁶⁷⁸⁹⁵,Abrikosov Alexei I.¹⁰³¹¹⁵^ORCID,Fritze Stefan⁶⁷⁸⁹⁵,von Fieandt Kristina⁶⁷⁸⁹⁵^ORCID,Alling Björn¹²³⁴⁵,Hotz Ingrid¹⁰³¹¹⁵,Jansson Ulf⁶⁷⁸⁹⁵,Abrikosov Igor A.¹²³⁴⁵^ORCID,Lewin Erik⁶⁷⁸⁹⁵^ORCID

Affiliation:

1. Department of Physics

2. Chemistry and Biology (IFM)

3. Linköping University

4. SE-581 83 Linköping

5. Sweden

6. Inorganic Chemistry

7. Department of Chemistry – Ångström Laboratory

8. Uppsala University

9. SE-751 21 Uppsala

10. Department of Science and Technology

11. SE-581 83 Norrköping

Abstract

Ab initio DFT simulations show significant charge transfer in multi-component alloys reducing atomic mismatch, which is confirmed by X-ray photoelectron spectroscopy.

Funder

Stiftelsen för Strategisk Forskning

Knut och Alice Wallenbergs Stiftelse

Vetenskapsrådet

Russian Foundation for Basic Research

Publisher

Royal Society of Chemistry (RSC)

Subject

Materials Chemistry,General Materials Science

Link

http://pubs.rsc.org/en/content/articlepdf/2021/QM/D1QM00380A

Reference45 articles.