Reticular Chemistry in Pore Engineering of a Y-Based Metal-Organic Framework for Xenon/Krypton Separation

Xiyu Song; Qiuhong Huang; Jiaqi Liu; Haomiao Xie; Karam B. Idrees; Shujing Hou; Liang Yu; Xingjie Wang; Fusheng Liu; Zhiwei Qiao; Hao Wang; Yongwei Chen; Zhibo Li; Omar K. Farha

doi:10.1021/acsami.3c01229

Reticular Chemistry in Pore Engineering of a Y-Based Metal-Organic Framework for Xenon/Krypton Separation

Xiyu Song, Qiuhong Huang, Jiaqi Liu, Haomiao Xie, Karam B. Idrees, Shujing Hou, Liang Yu, Xingjie Wang, Fusheng Liu^*, Zhiwei Qiao, Hao Wang, Yongwei Chen^*, Zhibo Li, Omar K. Farha^*

^*Corresponding author for this work

Chemistry

Research output: Contribution to journal › Article › peer-review

8 Scopus citations

Abstract

The fine-tuning of metal-organic framework (MOF) pore structures is of critical importance in developing energy-efficient xenon/krypton (Xe/Kr) separation techniques. Capitalizing on reticular chemistry, we constructed a robust Y-based MOF (NU-1801) that is isoreticular to NPF-500 with a shortened organic ligand and a larger metal radius while maintaining the 4,8-connected flu topology, giving rise to a narrowed pore structure for the efficient separation of a Xe/Kr mixture. At 298 K and 1 bar, NU-1801 possessed a moderate Xe uptake of 2.79 mmol/g but exhibited a high Xe/Kr selectivity of 8.2 and an exceptional Xe/Kr uptake ratio of about 400%. NU-1801 could efficiently separate a Xe/Kr mixture (20:80, v/v), as validated by breakthrough experiments, due to the outstanding discrimination in van der Waals interactions of Xe and Kr toward the framework confirmed by grand canonical Monte Carlo simulations. This work highlights the importance of reticular chemistry in designing structure-specific MOFs for gas separation.

Original language	English (US)
Pages (from-to)	18229-18235
Number of pages	7
Journal	ACS Applied Materials and Interfaces
Volume	15
Issue number	14
DOIs	https://doi.org/10.1021/acsami.3c01229
State	Published - Apr 12 2023

Funding

Y.C. gratefully acknowledges support from the National Natural Science Foundation of China (No. 22108141), Natural Science Foundation of Shandong Province (No. ZR2021QB013), Taishan Scholar Constructive Engineering Foundation (No. tsqn202211167), and Talent Fund for Province and Ministry Co-construction Collaborative Innovation Center of Eco-Chemical Engineering (No. STHGYX2212). O.K.F. gratefully acknowledges research support from the U.S. Department of Energy, Office of Science, Basic Energy Sciences Program (DE-FG02-08ER15967). Z.Q. acknowledges supports from the National Natural Science Foundation of China (No. 21978058) and the Pearl River Talent Recruitment Program (No. 2019QN01L255).

Keywords

MOFs
Xe/Kr separation
gas sorption
pore engineering
reticular chemistry

ASJC Scopus subject areas

General Materials Science

Access to Document

10.1021/acsami.3c01229

Cite this

@article{81f9125fb2524cc998a5cce6b675c97f,

title = "Reticular Chemistry in Pore Engineering of a Y-Based Metal-Organic Framework for Xenon/Krypton Separation",

abstract = "The fine-tuning of metal-organic framework (MOF) pore structures is of critical importance in developing energy-efficient xenon/krypton (Xe/Kr) separation techniques. Capitalizing on reticular chemistry, we constructed a robust Y-based MOF (NU-1801) that is isoreticular to NPF-500 with a shortened organic ligand and a larger metal radius while maintaining the 4,8-connected flu topology, giving rise to a narrowed pore structure for the efficient separation of a Xe/Kr mixture. At 298 K and 1 bar, NU-1801 possessed a moderate Xe uptake of 2.79 mmol/g but exhibited a high Xe/Kr selectivity of 8.2 and an exceptional Xe/Kr uptake ratio of about 400%. NU-1801 could efficiently separate a Xe/Kr mixture (20:80, v/v), as validated by breakthrough experiments, due to the outstanding discrimination in van der Waals interactions of Xe and Kr toward the framework confirmed by grand canonical Monte Carlo simulations. This work highlights the importance of reticular chemistry in designing structure-specific MOFs for gas separation.",

keywords = "MOFs, Xe/Kr separation, gas sorption, pore engineering, reticular chemistry",

author = "Xiyu Song and Qiuhong Huang and Jiaqi Liu and Haomiao Xie and Idrees, {Karam B.} and Shujing Hou and Liang Yu and Xingjie Wang and Fusheng Liu and Zhiwei Qiao and Hao Wang and Yongwei Chen and Zhibo Li and Farha, {Omar K.}",

note = "Publisher Copyright: {\textcopyright} 2023 American Chemical Society.",

year = "2023",

month = apr,

day = "12",

doi = "10.1021/acsami.3c01229",

language = "English (US)",

volume = "15",

pages = "18229--18235",

journal = "ACS Applied Materials and Interfaces",

issn = "1944-8244",

publisher = "American Chemical Society",

number = "14",

}

TY - JOUR

T1 - Reticular Chemistry in Pore Engineering of a Y-Based Metal-Organic Framework for Xenon/Krypton Separation

AU - Song, Xiyu

AU - Huang, Qiuhong

AU - Liu, Jiaqi

AU - Xie, Haomiao

AU - Idrees, Karam B.

AU - Hou, Shujing

AU - Yu, Liang

AU - Wang, Xingjie

AU - Liu, Fusheng

AU - Qiao, Zhiwei

AU - Wang, Hao

AU - Chen, Yongwei

AU - Li, Zhibo

AU - Farha, Omar K.

PY - 2023/4/12

Y1 - 2023/4/12

N2 - The fine-tuning of metal-organic framework (MOF) pore structures is of critical importance in developing energy-efficient xenon/krypton (Xe/Kr) separation techniques. Capitalizing on reticular chemistry, we constructed a robust Y-based MOF (NU-1801) that is isoreticular to NPF-500 with a shortened organic ligand and a larger metal radius while maintaining the 4,8-connected flu topology, giving rise to a narrowed pore structure for the efficient separation of a Xe/Kr mixture. At 298 K and 1 bar, NU-1801 possessed a moderate Xe uptake of 2.79 mmol/g but exhibited a high Xe/Kr selectivity of 8.2 and an exceptional Xe/Kr uptake ratio of about 400%. NU-1801 could efficiently separate a Xe/Kr mixture (20:80, v/v), as validated by breakthrough experiments, due to the outstanding discrimination in van der Waals interactions of Xe and Kr toward the framework confirmed by grand canonical Monte Carlo simulations. This work highlights the importance of reticular chemistry in designing structure-specific MOFs for gas separation.

AB - The fine-tuning of metal-organic framework (MOF) pore structures is of critical importance in developing energy-efficient xenon/krypton (Xe/Kr) separation techniques. Capitalizing on reticular chemistry, we constructed a robust Y-based MOF (NU-1801) that is isoreticular to NPF-500 with a shortened organic ligand and a larger metal radius while maintaining the 4,8-connected flu topology, giving rise to a narrowed pore structure for the efficient separation of a Xe/Kr mixture. At 298 K and 1 bar, NU-1801 possessed a moderate Xe uptake of 2.79 mmol/g but exhibited a high Xe/Kr selectivity of 8.2 and an exceptional Xe/Kr uptake ratio of about 400%. NU-1801 could efficiently separate a Xe/Kr mixture (20:80, v/v), as validated by breakthrough experiments, due to the outstanding discrimination in van der Waals interactions of Xe and Kr toward the framework confirmed by grand canonical Monte Carlo simulations. This work highlights the importance of reticular chemistry in designing structure-specific MOFs for gas separation.

KW - MOFs

KW - Xe/Kr separation

KW - gas sorption

KW - pore engineering

KW - reticular chemistry

UR - http://www.scopus.com/inward/record.url?scp=85151344949&partnerID=8YFLogxK

UR - http://www.scopus.com/inward/citedby.url?scp=85151344949&partnerID=8YFLogxK

U2 - 10.1021/acsami.3c01229

DO - 10.1021/acsami.3c01229

M3 - Article

C2 - 36996577

AN - SCOPUS:85151344949

SN - 1944-8244

VL - 15

SP - 18229

EP - 18235

JO - ACS Applied Materials and Interfaces

JF - ACS Applied Materials and Interfaces

IS - 14

ER -

Reticular Chemistry in Pore Engineering of a Y-Based Metal-Organic Framework for Xenon/Krypton Separation

Abstract

Funding

Keywords

ASJC Scopus subject areas

Access to Document

Other files and links

Fingerprint

Cite this