Multivariate modulation of Zr₆ UiO-66 for enhanced cooperative CO₂ adsorption through defect multi-functionalisation.

IF 12.2 2区材料科学 Q1 CHEMISTRY, MULTIDISCIPLINARY

Materials Horizons Pub Date : 2025-06-17 DOI:10.1039/d5mh00650c

Carmen Rosales-Martínez, Sousa Javan Nikkhah, Marcileia Zanatta, Juan Carlos Martínez, Matthias Vandichel, Isabel Abánades Lázaro

引用次数: 0

Abstract

The multivariate modulation of MOFs allows for the simultaneous introduction of multiple functionalities at defect sites during synthesis, enhancing the MOF porosity. By the thoughtful choice of modulators' functionalities targeted at CO₂ adsorption, the designed dimodulated MOF, UiO-66-NH₂/SO₃, has a 6.6 mmol g^-1 CO₂ adsorption at 273 K and 1 bar, a 2.3-fold increase compared to the pristine MOF and a 1.6-fold enhancement compared to the single-modulated MOFs. This enhancement is due to the cooperative effect of functional units, which is supported by Monte Carlo simulations.

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Zr6 UiO-66缺陷多功能化对CO2协同吸附的多元调控。

MOF的多元调制允许在合成过程中在缺陷位点同时引入多种功能，从而提高MOF的孔隙率。通过精心选择针对CO2吸附的调制剂功能，设计的双调制MOF UiO-66-NH2/SO3在273 K和1 bar条件下的CO2吸附量为6.6 mmol g-1，比原始MOF提高2.3倍，比单调制MOF提高1.6倍。这种增强是由于功能单元的协同效应，这是由蒙特卡罗模拟支持的。

本文章由计算机程序翻译，如有差异，请以英文原文为准。

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来源期刊

Materials Horizons CHEMISTRY, MULTIDISCIPLINARY-MATERIALS SCIENCE, MULTIDISCIPLINARY

CiteScore

18.90

自引率

2.30%

发文量

306

审稿时长

1.3 months

期刊介绍： Materials Horizons is a leading journal in materials science that focuses on publishing exceptionally high-quality and innovative research. The journal prioritizes original research that introduces new concepts or ways of thinking, rather than solely reporting technological advancements. However, groundbreaking articles featuring record-breaking material performance may also be published. To be considered for publication, the work must be of significant interest to our community-spanning readership. Starting from 2021, all articles published in Materials Horizons will be indexed in MEDLINE©. The journal publishes various types of articles, including Communications, Reviews, Opinion pieces, Focus articles, and Comments. It serves as a core journal for researchers from academia, government, and industry across all areas of materials research. Materials Horizons is a Transformative Journal and compliant with Plan S. It has an impact factor of 13.3 and is indexed in MEDLINE.

Multivariate modulation of Zr6 UiO-66 for enhanced cooperative CO2 adsorption through defect multi-functionalisation.

Abstract

Multivariate modulation of Zr₆ UiO-66 for enhanced cooperative CO₂ adsorption through defect multi-functionalisation.