In:
Journal of the chemical society of pakistan, Chemical Society of Pakistan, Vol. 43, No. 6 ( 2021), p. 623-623
Abstract:
The selective adsorption and capture of CO2 from post-combustion gases carries huge significance for the reduction of greenhouse effect. In this research, the computations of density functional are performed to investigate the CO2 selective adsorption of S-doped graphene in thrall to applied electric field (E-F). Introducing the applied E-F, the adsorption between S-doped graphene and CO2 is strong chemisorption, and CO2 can be effectively captured. Removing the applied E-F, the adsorption restores to physisorption and CO2 is easily desorbed. Therefore, the CO2 seize and clearing can be realized merely by controlling the E-F. Besides, the adsorption energy of N2 (H2O) on S-decorated graphene is positive when introduce the applied E-F. The results demonstrated that S-doped graphene can selectively adsorb CO2 from the post-combustion gases by controlling the E-F.
Type of Medium:
Online Resource
ISSN:
0253-5106
Uniform Title:
Electric Field Controlled Separation and Capture of CO2 over S-Doped Graphene: A First-Principles Calculation
DOI:
10.52568/000964/JCSP/43.06.2021
Language:
Unknown
Publisher:
Chemical Society of Pakistan
Publication Date:
2021
detail.hit.zdb_id:
3024078-5
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