Hydrogen Adsorption in Metal–Organic Frameworks: Cu‐MOFs and Zn‐MOFs Compared

Panella, Barbara; Hirscher, Michael; Pütter, Hermann; Müller, Ulrich

doi:10.1002/adfm.200500561

Cited by 649 publications

(434 citation statements)

References 25 publications

(38 reference statements)

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“…Figure 4a shows the simulated adsorption isotherm of the H2 adsorption in MOF-5 at 298 K compared with the experimental data [29]. The simulated adsorption isotherm fits well with the experimental data at different pressures, with the standard deviation being less than 6.57%.…”

Section: Simulation Methodssupporting

confidence: 50%

Effective Thermal Conductivity of MOF-5 Powder under a Hydrogen Atmosphere

Wang

Wen

et al. 2015

Computation

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Abstract:Effective thermal conductivity is an important thermophysical property in the design of metal-organic framework-5 (MOF-5)-based hydrogen storage tanks. A modified thermal conductivity model is built by coupling a theoretical model with the grand canonical Monte Carlo simulation (GCMC) to predict the effect of the H2 adsorption process on the effective thermal conductivity of a MOF-5 powder bed at pressures ranging from 0.01 MPa to 50 MPa and temperatures ranging from 273.15 K to 368.15 K. Results show that the mean pore diameter of the MOF-5 crystal decreases with an increase in pressure and increases with an increase in temperature. The thermal conductivity of the adsorbed H2 increases with an increased amount of H2 adsorption. The effective thermal conductivity of the MOF-5 crystal is significantly enhanced by the H2 adsorption at high pressure and low temperature. The effective thermal conductivity of the MOF-5 powder bed increases with an increase in pressure and remains nearly unchanged with an increase in temperature. The thermal conductivity of the MOF-5 powder bed increases linearly with the decreased porosity and increased thermal conductivity of the skeleton of the MOF-5 crystal. The variation in the effective thermal conductivities of the MOF-5 crystals and bed mainly results from the thermal conductivities of the gaseous and adsorption phases.

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Section: Simulation Methodssupporting

confidence: 50%

Effective Thermal Conductivity of MOF-5 Powder under a Hydrogen Atmosphere

Wang

Wen

et al. 2015

Computation

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“…Cu-MOF has a greater capacity to adsorb higher hydrogen than does Zn-MOF (Panella et al, 2006). When Cu-MOF was used as the catalyst for "Click" reactions, it was found that different organic linkers in the MOF influenced catalysts.…”

Section: Introductionmentioning

confidence: 99%

Cu/Cu2O/CuO loaded on the carbon layer derived from novel precursors with amazing catalytic performance

Zhao

Tan

et al. 2016

Science of The Total Environment

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• We present an effective catalyst for reductive degradation of organic dyes and phenols in water.• Compared with noble metals, Cu/Cu 2 O/ CuO@C particles are more efficient and less expensive • The porous structure provided a large contact area and channels for the pollutions and active site. , infrared spectroscopy and Raman analysis, revealed that it was composed of graphitized carbon with numerous nanoparticles (100 nm in diameter) of Cu/CuO/Cu 2 O that were uniformly distributed on internal and external surfaces of the carbon support. Gallic acid (GA) has been used as both organic ligand and carbon precursor with metal organic frameworks (MOFs) as the sacrificial template and metal oxide precursor in this green synthesis. The material combined the advantages of MOFs and Cu-containing materials, the porous structure provided a large contact area and channels for the pollutions, which results in more rapid catalytic degradation of pollutants and leads to greater efficiency of catalysis. The material gave excellent catalytic performance for organic dyes and phenols. In this study, Cu/Cu 2 O/CuO@C was used as catalytic to reduce 4-NP, which has been usually adopted as a model reaction to check the catalytic ability. Catalytic experiment results show that 4-NP was degraded approximately 3 min by use of 0.04 mg of catalyst and the conversion of pollutants can reach more than 99%. The catalyst exhibited little change in efficacy after being utilized five times. Rates of degradation of dyes, such as Methylene blue (MB) and Contents lists available at ScienceDirectScience of the Total Environment j o u r n a l h o m e p a g e : w w w . e l s e v i e r . c o m / l o c a t e / s c i t o t e n v Rhodamine B (RhB) and phenolic compounds such as O-Nitrophenol (O-NP) and 2-Nitroaniline (2-NA) were all similar.

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“…Through the careful choice of starting materials, these networks can be tailored for specific magnetic or catalytic properties, as well as for other applications such as gas storage. 19,44 The creation of MOCNs directly at surfaces is considered to be relevant for similar technological applications including information storage and processing 5,40,45 and also constitutes a model system to study low-dimensional magnetism at surfaces. 34,35 A typical linker molecule used for surface MOCNs is trimesic acid (TMA) comprised of three carboxylic acid groups ordered in a planar triangular arrangement around the central phenyl ring, Figure 1.…”

Section: Introductionmentioning

confidence: 99%

Hydrogen and Coordination Bonding Supramolecular Structures of Trimesic Acid on Cu(110)

Claßen

Lingenfelder²,

Wang³

et al. 2007

J. Phys. Chem. A

119

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The adsorption of trimesic acid (TMA) on Cu(110) has been studied in the temperature range between 130 and 550 K and for coverages up to one monolayer. We combine scanning tunneling microscopy (STM), low-energy electron diffraction (LEED), reflection absorption infrared spectroscopy (RAIRS), X-ray photoemission spectroscopy (XPS), and density functional theory (DFT) calculations to produce a detailed adsorption phase diagram for the TMA/Cu(110) system as a function of the molecular coverage and the substrate temperature. We identify a quite complex set of adsorption phases, which are determined by the interplay between the extent of deprotonation, the intermolecular bonding, and the overall energy minimization. For temperatures up to 280 K, TMA molecules are only partly deprotonated and form hydrogen-bonded structures, which locally exhibit organizational chirality. Above this threshold, the molecules deprotonate completely and form supramolecular metal-organic structures with Cu substrate adatoms. These structures exist in the form of single and double coordination chains, with the molecular coverage driving distinct phase transitions.

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Hydrogen Adsorption in Metal–Organic Frameworks: Cu‐MOFs and Zn‐MOFs Compared

Cited by 649 publications

References 25 publications

Effective Thermal Conductivity of MOF-5 Powder under a Hydrogen Atmosphere

Effective Thermal Conductivity of MOF-5 Powder under a Hydrogen Atmosphere

Cu/Cu2O/CuO loaded on the carbon layer derived from novel precursors with amazing catalytic performance

Hydrogen and Coordination Bonding Supramolecular Structures of Trimesic Acid on Cu(110)

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