Evaluation of carbon nanoscroll materials for post-combustion CO2 capture

Daff, Thomas D.; Collins, Sean P.; Dureckova, Hana; Perim, Eric; Skaf, Munir S.; Galvão, Douglas S.; Woo, Tom K.

doi:10.1016/j.carbon.2016.01.072

Cited by 37 publications

(15 citation statements)

References 37 publications

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“…Moreover, developing a correlation between the carrier composition and the membrane performance can improve our understanding of the FTM system and significantly benefit the carrier selection for future membrane synthesis. Furthermore, computational techniques have been widely adopted to facilitate material innovations in a variety of applications such as adsorption-based carbon capture, − reverse osmosis desalination, , and ethanol extraction. , …”

Section: Introductionmentioning

confidence: 99%

Computational Evaluation of Carriers in Facilitated Transport Membranes for Postcombustion Carbon Capture

et al. 2020

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Incorporating molecular amines as mobile carriers in facilitated transport membranes (FTMs) has been demonstrated to significantly enhance the CO2 permeance and CO2/N2 selectivity of the membrane for CO2 capture from flue gas. In this study, by employing computational techniques including density functional theory calculations and molecular simulations, the role of mobile carriers has been systematically studied at a molecular level from the perspectives of the amine–CO2 reaction chemistry, diffusivities of carriers and gases, and N2 solubility. The latter two properties were also investigated as a function of water uptake. The water uptake values of FTMs were experimentally quantified too. The introduction of mobile carriers was shown to substantially enhance the diffusivities of CO2 reaction products compared to FTMs without mobile carriers. The choice of mobile carriers was also demonstrated to influence the separation performance. Computationally, 2-(1-piperazinyl)ethylamine sarcosinate (PZEA-Sar) exhibited a faster reaction kinetics and slightly higher CO2 absorption capacity as compared to piperazine glycinate (PZ-Gly). Experimentally, the FTM incorporating PZEA-Sar mobile carriers also showed a higher CO2 permeance. The good agreement validated the computational models employed and insights generated in this study. The outcomes of this work shed light on the future design and selection of carrier structures, and the adopted computational approaches can be employed to discover promising mobile carrier candidates.

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Section: Introductionmentioning

confidence: 99%

Computational Evaluation of Carriers in Facilitated Transport Membranes for Postcombustion Carbon Capture

et al. 2020

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“…It has been found that graphene oxide-based nanocomposites, that include carbon nanoscrolls filled with silver nanoparticles, possess enhanced and lengthened antifungal activity due to the slow release of silver ions [77,78]. Molecular dynamics simulations have been done to examine the gas adsorption properties of nanoscrolls made from various materials, including GNS [79]. In particular, adsorption kinetics for post-combustion CO 2 capture by GNS has been investigated.…”

Section: Introductionmentioning

confidence: 99%

Graphene nanoribbon winding around carbon nanotube

Savin¹,

Korznikova

Soboleva

2017

Computational Materials Science

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“…These nanoscrolls are expected to not only retain the excellent properties of their atomic-thick 2D hosts but also exhibit intriguing properties that arise from their 1D tubular geometry. Graphene-based nanoscrolls, for example, have been investigated both theoretically − and experimentally − and hold promise for applications including nanofluidic devices, , lithium-ion batteries, chemical sensors, electromechanical actuators, microcircuit interconnectors, nanoscale device for magnetic recording, and hydrogen storage. , Recently, nanoscrolls of h -BN , and MoS 2 − have also been fabricated and investigated, and a lot of self-assembly methods have been developed to synthesize the nanoscrolls, including in situ, inorganic-nanoparticle-induced, 1D template-assisted, , and solvent-assisted self-assembly methods. Particularly, Cui et al developed a simple method very recently for scrolling monolayer transition metal dichalcogenides (TMDs) in situ by droplets of ethanol solution, and the electron mobility of MoS 2 nanoscrolls was found to be one order greater than that of MoS 2 flakes …”

mentioning

confidence: 99%

Highly Promoted Carrier Mobility and Intrinsic Stability by Rolling Up Monolayer Black Phosphorus into Nanoscrolls

Wang

Jiang

Chen

et al. 2018

J. Phys. Chem. Lett.

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Rolling up two-dimensional (2D) materials into nanoscrolls could not only retain the excellent properties of their 2D hosts but also display intriguing physical and chemical properties that arise from their 1D tubular structures. Here, we report a new class of black phosphorus nanoscrolls (bPNSs), which are stable at room-temperature and energetically more favorable than 2D bP. Most strikingly, these bPNSs hold tunable direct band gaps and extremely high mobilities (e.g., the mobility of the double-layer bPNS is about 20-fold higher than that of 2D bP monolayer). Their unique self-encapsulation structure and layer-dependent conduction band minimum can largely prevent the entrance of O2 and the production of O2 – and thereby suppress the possible environmental degradation as well. The enhanced intrinsic stability and promoted electronic properties render bPNSs great promise in many advanced electronics or optoelectronics applications.

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Evaluation of carbon nanoscroll materials for post-combustion CO2 capture

Cited by 37 publications

References 37 publications

Computational Evaluation of Carriers in Facilitated Transport Membranes for Postcombustion Carbon Capture

Computational Evaluation of Carriers in Facilitated Transport Membranes for Postcombustion Carbon Capture

Graphene nanoribbon winding around carbon nanotube

Highly Promoted Carrier Mobility and Intrinsic Stability by Rolling Up Monolayer Black Phosphorus into Nanoscrolls

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