Electronic, optical and vibrational features of BiVO4 nanostructures investigated by first-principles calculations-Reference-Cited by-同舟云学术

Electronic, optical and vibrational features of BiVO4 nanostructures investigated by first-principles calculations

Published:2016 Issue:112 Volume:6 Page:110695-110705
ISSN:2046-2069
Container-title:RSC Advances
language:en
Short-container-title:RSC Adv.

Author:

Ordon K.¹²³⁴⁵,Kassiba A.⁶⁷⁸⁹,Makowska-Janusik M.¹²³⁴⁵

Affiliation:

1. Institute of Physics

2. Faculty of Mathematics and Natural Science

3. Jan Dlugosz University in Czestochowa

4. 42200 Czestochowa

5. Poland

6. Institute of Molecules and Materials of Le Mans

7. Université du Maine

8. 72085 Le Mans

9. France

Abstract

Numerical models based on DFT and semi-empirical quantum chemical calculations were developed for bulk and nano-sized BiVO₄ semiconducting oxide. Importance of surface reconstruction for electronic and vibrational properties was shown.

Publisher

Royal Society of Chemistry (RSC)

Subject

General Chemical Engineering,General Chemistry

Link

http://pubs.rsc.org/en/content/articlepdf/2016/RA/C6RA20605K

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5. A Novel Aqueous Process for Preparation of Crystal Form-Controlled and Highly Crystalline BiVO4 Powder from Layered Vanadates at Room Temperature and Its Photocatalytic and Photophysical Properties

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