Exploring optoelectronic and photocatalytic properties of X2AgBiY6 (X = NH4, PH4, AsH4, SbH4 and Y = Cl, Br): a DFT study

Author:

Mohsin Ali Sardar1,Saeed M. Usman1,Elansary Hosam O.23,Saeed Y.1ORCID

Affiliation:

1. Department of Physics, Abbottabad University of Science and Technology, Abbottabad, KPK, Pakistan

2. Prince Sultan Bin Abdulaziz International Prize for Water Chair, Prince Sultan Institute for Environmental, Water and Desert Research, King Saud University, Riyadh 11451, Saudi Arabia

3. Department of Plant Production, College of Food Agriculture Sciences, King Saud University, Riyadh 11451, Saudi Arabia

Abstract

Ab initio calculations have been used to investigate lead-free double-perovskites (DPs) X2AgBiY6 (X = NH4, PH4, AsH4, SbH4 and Y = Cl, Br) for solar-cell-based energy sources.

Funder

King Saud University

Higher Education Commision, Pakistan

Publisher

Royal Society of Chemistry (RSC)

Subject

General Chemical Engineering,General Chemistry

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