Effective masses, electronic and optical properties of (111)-layered B-site deficient hexagonal perovskite Ba5M4O15 (M = Ta, Nb): a DFT study using HSE06-Reference-Cited by-同舟云学术

Effective masses, electronic and optical properties of (111)-layered B-site deficient hexagonal perovskite Ba5M4O15 (M = Ta, Nb): a DFT study using HSE06

Published:2016 Issue:66 Volume:6 Page:61150-61161
ISSN:2046-2069
Container-title:RSC Advances
language:en
Short-container-title:RSC Adv.

Author:

Zahedi Ehsan¹²³⁴⁵,Hojamberdiev Mirabbos⁶⁷⁸⁹,Bekheet Maged F.¹⁰¹¹¹²¹³¹⁴^ORCID

Affiliation:

1. Department of Physical Chemistry

2. Shahrood Branch

3. Islamic Azad University

4. Shahrood

5. Iran

6. Department of Natural and Mathematic Sciences

7. Turin Polytechnic University in Tashkent

8. Tashkent 100095

9. Uzbekistan

10. Fachgebiet Keramische Werkstoffe

11. Institut für Werkstoffwissenschaften und-technologien

12. Fakultät III Prozesswissenschaften

13. Technische Universität Berlin

14. 10623 Berlin

Abstract

Density functional theory has been used to investigate crystal structure, effective masses, electronic and optical properties of (111)-layered B-site deficient hexagonal perovskite Ba₅M₄O₁₅ (M = Ta, Nb) as UV-light-responsive photocatalysts.

Publisher

Royal Society of Chemistry (RSC)

Subject

General Chemical Engineering,General Chemistry

Link

http://pubs.rsc.org/en/content/articlepdf/2016/RA/C6RA10603J

Reference55 articles.

1. Nitrogen-doped layered oxide Sr5Ta4O15−xNx for water reduction and oxidation under visible light irradiation

2. Photocatalytic oxygen evolution using BaNbO2N modified with cobalt oxide under photoexcitation up to 740 nm

3. Enhanced photocatalytic hydrogen generation from barium tantalate composites

4. Improved overall water splitting with barium tantalate mixed oxide composites

5. Improved charge carrier separation in barium tantalate composites investigated by laser flash photolysis

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