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

Muhammad Khuram Shahzad; Syed Taqveem Mujtaba; Shoukat Hussain; Jalil Ur Rehman; Muhammad Umair Farooq; Muhammad Aslam Khan; Muhammad Bilal Tahir; Muhammad Mahmood Ali

doi:10.1039/d2ra03218j

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

Muhammad Khuram Shahzad
, Syed Taqveem Mujtaba
, Shoukat Hussain
, Jalil Ur Rehman
, Muhammad Umair Farooq
, Muhammad Aslam Khan
, Muhammad Bilal Tahir
, Muhammad Mahmood Ali

Department of Mechatronic Engineering

Research output: Contribution to journal › Article › peer-review

65 Citations (Scopus)

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.

Original language	English
Journal	RSC Advances
DOIs	https://doi.org/10.1039/d2ra03218j
Publication status	Published - 2022

Access to Document

10.1039/d2ra03218j

Cite this

@article{3d71490144954ebc9fb46a4be7e97014,

title = "Zirconium-based cubic-perovskite materials for photocatalytic solar cell applications: a DFT study",

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.",

author = "Shahzad, \{Muhammad Khuram\} and Mujtaba, \{Syed Taqveem\} and Shoukat Hussain and Rehman, \{Jalil Ur\} and Farooq, \{Muhammad Umair\} and Khan, \{Muhammad Aslam\} and Tahir, \{Muhammad Bilal\} and Ali, \{Muhammad Mahmood\}",

year = "2022",

doi = "10.1039/d2ra03218j",

language = "English",

journal = "RSC Advances",

issn = "2046-2069",

publisher = "Royal Society of Chemistry",

}

TY - JOUR

T1 - Zirconium-based cubic-perovskite materials for photocatalytic solar cell applications: a DFT study

AU - Shahzad, Muhammad Khuram

AU - Mujtaba, Syed Taqveem

AU - Hussain, Shoukat

AU - Rehman, Jalil Ur

AU - Farooq, Muhammad Umair

AU - Khan, Muhammad Aslam

AU - Tahir, Muhammad Bilal

AU - Ali, Muhammad Mahmood

PY - 2022

Y1 - 2022

N2 - 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.

AB - 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.

UR - http://dx.doi.org/10.1039/d2ra03218j

U2 - 10.1039/d2ra03218j

DO - 10.1039/d2ra03218j

M3 - Article

SN - 2046-2069

JO - RSC Advances

JF - RSC Advances

ER -

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

Abstract

Access to Document

Other files and links

Fingerprint

Cite this