Zirconium-based cubic-perovskite materials for photocatalytic solar cell applications: a DFT study-Reference-Cited by-同舟云学术

Zirconium-based cubic-perovskite materials for photocatalytic solar cell applications: a DFT study

Published:2022 Issue:42 Volume:12 Page:27517-27524
ISSN:2046-2069
Container-title:RSC Advances
language:en
Short-container-title:RSC Adv.

Author:

Shahzad Muhammad Khuram¹²^ORCID,Mujtaba Syed Taqveem³^ORCID,Hussain Shoukat¹²,Rehman Jalil Ur¹²^ORCID,Farooq Muhammad Umair⁴,Khan Muhammad Aslam¹²,Tahir Muhammad Bilal¹²,Mahmood Muhammad Ali⁵⁶

Affiliation:

1. Institute of Physics, Khwaja Fareed University of Engineering and Information Technology, Rahim Yar Khan, Pakistan

2. Center of Theoretical and Computational Research, Khwaja Fareed University of Engineering and Information Technology, Rahim Yar Khan, Pakistan

3. Department of Physics, Riphah International University, Faisalabad Campus, Faisalabad, Pakistan

4. Institute of Physics, The Islamia University of Bahawalpur, 63100 Pakistan

5. Centre for Mathematical Modeling and Intelligent Systems for Health and Environment (MISHE), Atlantic Technological University Sligo, Ash Lane, F91 YW50 Sligo, Ireland

6. Department of Computing and Electronic Engineering, Atlantic Technological University Sligo, Ash Lane, F91 YW50 Sligo, Ireland

Abstract

The structural, electronic, optical, and mechanical characteristics of cubic inorganic perovskites XZrO3 (X = Rb and K) were studied using the Cambridge serial total energy package-based DFT.

Publisher

Royal Society of Chemistry (RSC)

Subject

General Chemical Engineering,General Chemistry

Link

http://pubs.rsc.org/en/content/articlepdf/2022/RA/D2RA03218J

Reference40 articles.

1. NASICON-based amperometric CO2 sensor using Na2CO3–BaCO3 auxiliary phase

2. Ab initio exploration of the structural, elastic, electronic and optical properties of a new layered perovskite-type oxyﬂuoride: CsSrNb2O6F

3. Polymer dielectric films exhibiting superior high-temperature capacitive performance by utilizing an inorganic insulation interlayer

4. Enhanced Photoresponsivity of a GaAs Nanowire Metal-Semiconductor-Metal Photodetector by Adjusting the Fermi Level

5. Reversible calcium alloying enables a practical room-temperature rechargeable calcium-ion battery with a high discharge voltage

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