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Open AccessArticle

Adsorption and Diffusion of Hydrogen in Carbon Honeycomb

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School of Mechanical Engineering, University of Science and Technology Beijing, Beijing 100083, China
2
Reactor Engineering and Safety Research Center, China Nuclear Power Technology Research Institute Co., Ltd., Shenzhen 518031, China
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GREMI UMR7344 CNRS, Université d’Orléans, BP6744, 45067 Orleans CEDEX 2, France
4
Physics Department, King Fahd University of Petroleum & Minerals, Dhahran 31261, Saudi Arabia
*
Authors to whom correspondence should be addressed.
Nanomaterials 2020, 10(2), 344; https://doi.org/10.3390/nano10020344
Received: 4 January 2020 / Revised: 9 February 2020 / Accepted: 12 February 2020 / Published: 18 February 2020
Carbon honeycomb has a nanoporous structure with good mechanical properties including strength. Here we investigate the adsorption and diffusion of hydrogen in carbon honeycomb via grand canonical Monte Carlo simulations and molecular dynamics simulations including strength. Based on the adsorption simulations, molecular dynamics simulations are employed to study the effect of pressure and temperature for the adsorption and diffusion of hydrogen. To study the effect of pressure, we select the 0.1, 1, 5, 10, 15, and 20 bars. Meanwhile, we have studied the hydrogen storage capacities of the carbon honeycomb at 77 K, 153 K, 193 K, 253 K and 298 K. A high hydrogen adsorption of 4.36 wt.% is achieved at 77 K and 20 bars. The excellent mechanical properties of carbon honeycomb and its unique three-dimensional honeycomb microporous structure provide a strong guarantee for its application in practical engineering fields. View Full-Text
Keywords: hydrogen adsorption; carbon honeycomb; molecular dynamics; grand canonical Monte Carlo simulations; pressure; temperature hydrogen adsorption; carbon honeycomb; molecular dynamics; grand canonical Monte Carlo simulations; pressure; temperature
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MDPI and ACS Style

Qin, Q.; Sun, T.; Wang, H.; Brault, P.; An, H.; Xie, L.; Peng, Q. Adsorption and Diffusion of Hydrogen in Carbon Honeycomb. Nanomaterials 2020, 10, 344.

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