Project information
Advanced carbon@MOF composites for gas storage and separation
(COMPSTORE)
- Project Identification
- 5SA15060
- Project Period
- 4/2017 - 3/2020
- Investor / Pogramme / Project type
-
South-Moravian Region
- SoMoPro
- MU Faculty or unit
-
Central European Institute of Technology
- Pezhman Zarabadi Poor, Ph.D.
Importance of energy storage and deployment of renewable energy usage become vital with increasing fossil-fuel consumption and rather limited natural resources. Therefore, it is critical and urgently needed to design novel materials for energy storage in various applications. In this research proposal, low-temperature techniques will be used to synthesize advanced nanomaterials including i) carbonaceous nanostructures (CNs), ii) metal-organic frameworks (MOFs), and iii) sophisticated CN@MOF composites. For the first two classes of advanced materials, the main effort and goal of COMPSTORE project is to develop methods for more facile and environment-friendly synthetic approaches. The third part of this project is devoted to combining the carbon nanomaterials and the metal-organic frameworks to improve applications and suppress disadvantages of individual components in energy storage. In silico approaches will be used for designing novel composite materials which will subsequently be developed experimentally. Theoretical methods will also be used to describe and understand the gas-binding processes at molecular level. The COMPSTORE project is designed to combine experimental and computational aspects for developing the advanced nanomaterials beyond the state-of-the-art in energy storage and gas separation.
Publications
Total number of publications: 6
2020
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Heads or Tails? Sandwich-Type Metallocomplexes of Hexakis(2,3-di-O-methyl)-alpha-cyclodextrin
Crystal Growth Design, year: 2020, volume: 20, edition: 6, DOI
2019
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Comment on “Database for CO2 Separation Performances of MOFs Based on Computational Materials Screening”
ACS Applied Materials & Interfaces, year: 2019, volume: 11, edition: 18, DOI
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Metal-Organic Frameworks for Helium Recovery from Natural Gas via N2/He Separation: A Computational Screening
The Journal of Physical Chemistry C, year: 2019, volume: 123, edition: 6, DOI
2018
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A detailed atomistic molecular simulation study on adsorption-based separation of CO2 using a porous coordination polymer
RSC Advances, year: 2018, volume: 8, edition: 26, DOI
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Computational Exploration of IRMOFs for Xenon Separation from Air
ACS Omega, year: 2018, volume: 3, edition: 12, DOI
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In Silico Study of (Mn, Fe, Co, Ni, Zn)-BTC Metal-Organic Frameworks for Recovering Xenon from Exhaled Anesthetic Gas
ACS Sustainable Chemistry & Engineering, year: 2018, volume: 6, edition: 11, DOI