A fluorinated Zr-based MOF of high porosity for high CH4 storage

Zhao, Dian; Yu, Changwei; Jiang, Junling; Duan, Xing; Zhang, Ling; Jiang, Ke; Qian, Guodong

doi:10.1016/j.jssc.2019.05.051

Cited by 30 publications

(15 citation statements)

References 38 publications

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“…The average adsorption energy of the CH 4 molecules is −0.402 eV per CH 4 , and the adsorption amount of CH 4 molecules is 32.93 wt%. This value is a significant improvement compared to the adsorption capacity of MOF materials, [ 11,12 ] which is closer to the standards proposed by the US DOE. [ 36 ]…”

Section: Resultssupporting

confidence: 71%

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Methane Adsorption Properties of Mn‐Modified Graphene: A First‐Principles Study

Zhao

Chen

Song

et al. 2020

Advcd Theory and Sims

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Graphene (GR), as a 2D carbon nanomaterial with high specific surface area, is one of the primary candidates for energy‐storage applications. In this work, the adsorption properties of graphene and Mn‐modified graphene (Mn‐GR) systems for CH4 molecules are investigated, based on first‐principles density functional theory. It is found that intrinsic graphene adsorbs CH4 molecules weakly. The single side can adsorb up to 4 CH4 molecules, and the average adsorption energy is −0.220 eV per CH4. Mn atom modification can significantly improve the adsorption performance of GR system on CH4. The structure with the largest methane storage capacity is that the GR modified by two Mn atoms that are located in the spacer holes on the opposite sides. The system can adsorb 10 CH4 molecules on both sides, the CH4 adsorption amount can reach 32.93 wt%, and the average adsorption energy is −0.402 eV per CH4. The interaction between the Mn atom and graphene is mainly between the d orbital of the Mn atom and the p orbital of the C atom. After the CH4 molecule is adsorbed, charge transfer occurs between Mn atoms and CH4, which results in a Coulomb attraction and enhances the adsorption performance of CH4 molecules.

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Section: Resultssupporting

confidence: 71%

“…Zhao et al. [ 12 ] reported that a fluorine‐containing zirconium‐based MOF has a CH 4 content of 16.043 wt% at 298 K and 65 bar.…”

Section: Introductionmentioning

confidence: 99%

Methane Adsorption Properties of Mn‐Modified Graphene: A First‐Principles Study

Zhao

Chen

Song

et al. 2020

Advcd Theory and Sims

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“…A fluoro-functional group was added to a Zr-based MOF to synthesize ZJU-800 [119]. The fluoro-group is electron withdrawing and is part of the organic linker.…”

Section: Functionalization Of Mofsmentioning

confidence: 99%

Evolution of the Design of CH4 Adsorbents

Mahmoud

2020

Surfaces

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In this review, the evolution of paradigm shifts in CH4 adsorbent design are discussed. The criteria used as characteristic of paradigms are first reports, systematic findings, and reports of record CH4 storage or deliverable capacity. Various paradigms were used such as the systematic design of micropore affinity and pore size, functionalization, structure optimization, high throughput in silico screening, advanced material property design which includes flexibility, intrinsic heat management, mesoporosity and ultraporosity, and process condition optimization. Here, the literature is reviewed to elucidate how the approach to CH4 adsorbent design has progressed and provide strategies that could be implemented in the future.

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“…[165] Moreover, a lot of similar Zr-MOFs with fcu topology have been documented in past two years. [166][167][168][169][170][171][172][173][174][175][176] Linker elongation is one of the most important strategies to obtain MOFs with large pore sizes. However, fcu Zr-MOFs tend to interpenetrate with increase of linker sizes.…”

Section: Zr-mofs Based On Ditopic Linkersmentioning

confidence: 99%

“…[169] High-pressure methane adsorption property of a Zr-ZJU-800 has also been studied under room temperature with a storage capacity of 10.0 mmol g −1 at 65 bar, which is 61.2% higher than that of the structural similar UiO-66. [174] Besides CO 2 and CH 4 , Zr-MOFs can also be used for adsorption and storage of other gases. SO 2 adsorption properties of HHU-2-X and MOF-801 were measured at 293 K. [169] Both isotherms are type I isotherms with large hysteresis loops.…”

Section: Gas Storage and Separationmentioning

confidence: 99%

Metal–Organic Frameworks Based on Group 3 and 4 Metals

et al. 2020

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Metal-organic frameworks (MOFs), a class of porous crystalline framework materials, are linked by strong bonds between inorganic and organic building blocks. [1-3] In the past two decades, MOFs have rapidly grown as a star material due to their exceptional performance in areas such as storage, separation and catalysis. [4] The outstanding performance of MOFs in applications benefits from their intrinsically porous structures and highly tunable pore environment. [5-7] The creation and modification of pore space with optimized size, functionality and diversity can be precisely tuned at the molecular level by rationally designing building blocks and synthetic procedures. [8,9] The diversity of MOFs can be enriched by expanding the library of organic linkers with varying lengths, geometries, and functional groups. [10] Additionally, very diverse metal cations are applied to MOF synthesis, ranging from monovalent (Ag + , Cu + , etc.), divalent (Mg 2+ , Fe 2+ , Co 2+ , Ni 2+ , etc.), trivalent (Al 3+ , Sc 3+ , V 3+ , Cr 3+ , etc.), to tetravalent (Ti 4+ , Zr 4+ , Hf 4+ , etc.) cations. [11] In this review, we mainly focus on MOFs with group 3 and 4 metals, including Y, lanthanides (Ln, from La to Lu), actinides (An, from Ac to Lr), Ti, and Zr (Figure 1). Group 3 metal cations are generally found in the oxidation state of +3 in the MOF structures, while group 4 metal cations mainly exist in the oxidation state of +4, leading to the formation of much stronger coordination bonds with carboxylates. [12] Therefore, group 4 metal-based MOFs (M IV-MOFs) generally have enhanced stability compared with MOFs constructed from metals of group 3 and other groups. This series of MOFs stands out because the involved metals can generally coordinate with carboxylates to form frameworks with strong coordination bonds, according to the Pearson's hard/soft acid/base principle, where group 3 and 4 metal cations are regarded as hard acids while carboxylate ligands are hard bases. [11] One remarkable feature of MOFs with group 3 and 4 metals is that they generally can form phases containing M 6 O 8 (M = Y, Ln, An, Zr and Hf) clusters, regardless of their atomic numbers, charges and radius. This series of M 6-based MOFs is best represented by UiO series such as UiO-66 with fcu topology. [13] Under different synthetic conditions, UiO-66(M, M = An, Zr and Hf) constructed from [M 6 (μ 3-O) 4 (μ 3-OH) 4 ] clusters and linear carboxylates can be obtained, while UiO-66(M, M = Y, Ln) is assembled from Metal-organic frameworks (MOFs) based on group 3 and 4 metals are considered as the most promising MOFs for varying practical applications including water adsorption, carbon conversion, and biomedical applications. The relatively strong coordination bonds and versatile coordination modes within these MOFs endow the framework with high chemical stability, diverse structures and topologies, and interesting properties and functions. Herein, the significant progress made on this series of MOFs since 2018 is summarized and an update on the current status an...

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A fluorinated Zr-based MOF of high porosity for high CH4 storage

Cited by 30 publications

References 38 publications

Methane Adsorption Properties of Mn‐Modified Graphene: A First‐Principles Study

Methane Adsorption Properties of Mn‐Modified Graphene: A First‐Principles Study

Evolution of the Design of CH4 Adsorbents

Metal–Organic Frameworks Based on Group 3 and 4 Metals

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