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Amorphous PAF-1: guiding the rational design of ultraporous materials

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Amorphous PAF-1: guiding the rational design of ultraporous materials. / Thomas, Jens M. H.; Trewin, Abbie.
In: The Journal of Physical Chemistry C, Vol. 118, No. 34, 28.08.2014, p. 19712-19722.

Research output: Contribution to Journal/MagazineJournal articlepeer-review

Harvard

Thomas, JMH & Trewin, A 2014, 'Amorphous PAF-1: guiding the rational design of ultraporous materials', The Journal of Physical Chemistry C, vol. 118, no. 34, pp. 19712-19722. https://doi.org/10.1021/jp502336a

APA

Thomas, J. M. H., & Trewin, A. (2014). Amorphous PAF-1: guiding the rational design of ultraporous materials. The Journal of Physical Chemistry C, 118(34), 19712-19722. https://doi.org/10.1021/jp502336a

Vancouver

Thomas JMH, Trewin A. Amorphous PAF-1: guiding the rational design of ultraporous materials. The Journal of Physical Chemistry C. 2014 Aug 28;118(34):19712-19722. Epub 2014 Aug 5. doi: 10.1021/jp502336a

Author

Thomas, Jens M. H. ; Trewin, Abbie. / Amorphous PAF-1 : guiding the rational design of ultraporous materials. In: The Journal of Physical Chemistry C. 2014 ; Vol. 118, No. 34. pp. 19712-19722.

Bibtex

@article{0eff34baa1a04538a2fc2fae7180a2b3,
title = "Amorphous PAF-1: guiding the rational design of ultraporous materials",
abstract = "A number of topological structures for PAF-1 are compared with an amorphous structure for PAF-1, reproducing the ultrahigh surface area and pore volume observed experimentally. We compare the porosity properties of these structures and discuss potential structural strategies for increasing porosity and gas uptake properties. The PAF-1 network formation mechanism is simulated through use of an automated generation process, revealing the importance of the solvent in the resulting network structure and porosity properties. This opens up new rational design strategies and considerations for developing the next generation of porous framework materials.",
author = "Thomas, {Jens M. H.} and Abbie Trewin",
year = "2014",
month = aug,
day = "28",
doi = "10.1021/jp502336a",
language = "English",
volume = "118",
pages = "19712--19722",
journal = "The Journal of Physical Chemistry C",
issn = "1932-7447",
publisher = "American Chemical Society",
number = "34",

}

RIS

TY - JOUR

T1 - Amorphous PAF-1

T2 - guiding the rational design of ultraporous materials

AU - Thomas, Jens M. H.

AU - Trewin, Abbie

PY - 2014/8/28

Y1 - 2014/8/28

N2 - A number of topological structures for PAF-1 are compared with an amorphous structure for PAF-1, reproducing the ultrahigh surface area and pore volume observed experimentally. We compare the porosity properties of these structures and discuss potential structural strategies for increasing porosity and gas uptake properties. The PAF-1 network formation mechanism is simulated through use of an automated generation process, revealing the importance of the solvent in the resulting network structure and porosity properties. This opens up new rational design strategies and considerations for developing the next generation of porous framework materials.

AB - A number of topological structures for PAF-1 are compared with an amorphous structure for PAF-1, reproducing the ultrahigh surface area and pore volume observed experimentally. We compare the porosity properties of these structures and discuss potential structural strategies for increasing porosity and gas uptake properties. The PAF-1 network formation mechanism is simulated through use of an automated generation process, revealing the importance of the solvent in the resulting network structure and porosity properties. This opens up new rational design strategies and considerations for developing the next generation of porous framework materials.

U2 - 10.1021/jp502336a

DO - 10.1021/jp502336a

M3 - Journal article

VL - 118

SP - 19712

EP - 19722

JO - The Journal of Physical Chemistry C

JF - The Journal of Physical Chemistry C

SN - 1932-7447

IS - 34

ER -