CO 2 capture and separation on the penta-BN 2 monolayer with the assistance of charge/electric field
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CO2 capture and separation on the penta-BN2 monolayer with the assistance of charge/electric field Huihui Xiong1,2,* 1 2
, Haihui Zhang1,*, and Lei Gan1
School of Metallurgy Engineering, Jiangxi University of Science and Technology, Ganzhou, China School of Chemical Biology and Environment, Yuxi Normal University, Yuxi, China
Received: 14 July 2020
ABSTRACT
Accepted: 2 November 2020
The efficient CO2 capture, separation, storage and utilization have received increasing attention to alleviate carbon emission and greenhouse effect. In this work, the first-principles calculations were performed to investigate the adsorption behaviors of CO2, H2, N2 and CH4 on the penta-BN2 monolayer with different charge density/electric field intensity, which aims to explore the possibility of penta-BN2 sheet as an alternative CO2 capture material. The results show that the CO2 is physisorbed on the neutral penta-BN2 sheet, whereas the interactions between the CO2 and the penta-BN2 surface would be significantly strengthened after introducing appropriate negative charge density/electric field. Interestingly, the CO2 adsorption/desorption processes are spontaneous, reversible and could be effortlessly controlled by introducing/removing extra electrons or external electric field into/from the penta-BN2 nanosheet. The adsorption strength of H2, N2 and CH4 is weaker than that of CO2 on penta-BN2 sheet under the condition of charge/electric field. Namely, the CO2 could be effectively captured and separated from the mixtures of H2, N2 and CH4 with the assistance of negative charge/electric field. These theoretical conclusions could provide a helpful guideline in search of materials with excellent CO2 capture capacity.
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Springer Science+Business
Media, LLC, part of Springer Nature 2020
Handling Editor: Joshua Tong.
Address correspondence to E-mail: [email protected]; [email protected]
https://doi.org/10.1007/s10853-020-05524-3
J Mater Sci
GRAPHICAL ABSTRACT
CO2
Capture
Charge/E-field
Introduction The large-scale combustion of coals, fossil fuels and natural gas leads to the steep rise in carbon dioxide (CO2) emission during the recent decades, and results in the greenhouse effect, climate change and human diseases [1–4]. Consequently, great efforts have been made to help advance the development and application of effective CO2 capture and separation technologies. Owing to the low efficiency, poorregeneration, serious toxicity and equipment corrosion [5–7], the liquid-amine purification technics has been gradually substituted by solid adsorbent materials, such as activated carbons [8, 9], B40 fullerene [10], metal–organic frameworks (MOF) [11], transition metal carbide [12] and graphene [13]. Nevertheless, these solid adsorbents with remarkable CO2 capture ability often require a high temperature to release the adsorbed CO2 and thus also exhibit inferior regeneration characteristics, which could seriously restrict their use [14]. Therefore, it is essential to explore the excellent sorbent materials and their
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