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Designing porous electrode structures for supercapacitors using quenched MD simulations

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dc.contributor.author Mishra, Radha Raman
dc.contributor.author Belgamwar, Sachin U.
dc.contributor.author Roy, Tribeni
dc.date.accessioned 2023-10-09T11:10:12Z
dc.date.available 2023-10-09T11:10:12Z
dc.date.issued 2022
dc.identifier.uri https://www.sciencedirect.com/science/article/pii/S2214785322027675#kg005
dc.identifier.uri http://dspace.bits-pilani.ac.in:8080/xmlui/handle/123456789/12296
dc.description.abstract Recently, supercapacitors with hierarchical porous structured electrodes are gaining a lot of research interest due to their unique qualities such as high power, durability and eco-friendly nature. In this study, porous structured electrodes were generated using quenched molecular dynamics (QMD) simulations, that can provide high energy density by virtue of high porosity. Here, three different quench rates (16, 8 and 4 K/ps) were applied on liquid carbon system to generate different porous structures. It was observed that at 4000 K, the carbon atoms become disorderly bonded and arranges themselves in an ordered hexagonal ring sheets after the completion of quenching process at 300 K. The porous carbon structures were visualized by contour surface mesh. The pore size distribution showed an increase of 62% on decreasing the quench rate from 16 K/ps to 4 K/ps. These light-weight porous carbon structures may also be tested for mechanical and electrical performances, which can have future implications as electrodes for supercapacitor. en_US
dc.language.iso en en_US
dc.publisher Elsevier en_US
dc.subject Mechanical Engineering en_US
dc.subject QMD simulations en_US
dc.subject Supercapacitor en_US
dc.subject Porous electrode en_US
dc.subject Quenching en_US
dc.subject Annealing en_US
dc.subject AIREBO en_US
dc.title Designing porous electrode structures for supercapacitors using quenched MD simulations en_US
dc.type Article en_US


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