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Mohammad Solimannejad

Mohammad Solimannejad

Academic rank: Professor
ORCID: https://orcid.org/0000-0003-0617-8689
Education: PhD.
ScopusId: 6701740031
Faculty: Science
Address: Arak University
Phone:

Research

Title
B3O3 monolayer: an emerging 2D material for CO2 capture
Type
JournalPaper
Keywords
B3O3 monolayer;CO2; capture
Year
2021
Journal NEW JOURNAL OF CHEMISTRY
DOI
Researchers rezvan rahimi ، Mohammad Solimannejad

Abstract

In the current investigation, the CO2 capture capacity of the fabricated B3O3 monolayer was assessed via a periodic DFT study. The present study results show that pristine B3O3 nanosheets can take up five CO2 molecules with a CO2 capture capacity of 57.76 wt%. The average adsorption energy of adsorbed CO2 on the studied adsorbent falls in the range from −0.248 to −0.429 eV/CO2. The calculated CO2 capture capacity of the desired B3O3 monolayer in the present study is high; therefore, it can be recognized as an emerging material for efficient CO2 capture.