Materials Institute Lavoisier Research Articles

Metal–organic frameworks as catalysts for fructose conversion into 5‐hydroxymethylfurfural: Catalyst screening and parametric study

Hydroxymethylfurfural (5‐HMF) is a vital biomass‐derived platform chemical for the production of secondary value‐added chemicals. In this work, fructose conversion into 5‐HMF over metal–organic framework (MOF) has been considered. Several MOF‐based catalysts were synthesized and examined in fructose dehydration into 5‐HMF via a microwave‐assisted reactor. Each MOF's catalytic performance was evaluated concerning its surface area, pore size, and acid density. The results showed satisfactory fructose conversion levels for all studied MOFs in the range of 60%–99%. As a catalyst, zeolitic imidazolate frameworks (ZIFs) resulted in excellent fructose conversion, but interestingly, higher quantities of side products such as formic and levulinic acids were produced. The higher 5‐HMF yields, up to 90%, were obtained over the MIL‐101 (MIL, Materials Institute Lavoisier) family, such as MIL‐101‐SO3H. This result is ascribed to the fact that functionalized MOF possesses hydrothermal stability, high surface area, and suitable pore sizes.

Fabrication of hybrid membranes based on poly(ether-sulfone)/Materials Institute Lavoisier (MIL-53)(Al) and its enhanced CO2 gas separation performance

Fabrication of hybrid membranes based on poly(ether-sulfone)/Materials Institute Lavoisier (MIL-53)(Al) and its enhanced CO2 gas separation performance

Molecular dynamics study of water confined in MIL-101 metal–organic frameworks

Molecular dynamics simulations of water adsorbed in Material Institute Lavoisier MIL-101(Cr) metal-organic frameworks are performed to analyze the kinetic properties of water molecules confined in the framework at 298.15 K and under different vapor pressures and clarify the water adsorption mechanism in MIL-101(Cr). The terahertz frequency-domain spectra (THz-FDS) of water are calculated by applying fast Fourier transform to the configurational data of water molecules. According to the characteristic frequencies in the THz-FDS, the dominant motions of water molecules in MIL-101(Cr) can be categorized into three types: (1) low-frequency translational motion (0-0.5 THz), (2) medium-frequency vibrational motion (2-2.5 THz), and (3) high-frequency vibrational motion (>6 THz). Each type of water motion is confirmed by visualizing the water configuration in MIL-101(Cr). The ratio of the number of water molecules with low-frequency translational motion to the total number of water molecules increases with the increase in vapor pressure. In contrast, that with medium-frequency vibrational motion is found to decrease with vapor pressure, exhibiting a pronounced decrease after water condensation has started in the cavities. That with the high-frequency vibrational motion is almost independent of the vapor pressure. The interactions between different types of water molecules affect the THz-FDS. Furthermore, the self-diffusion coefficient and the velocity auto-correlation function are calculated to clarify the adsorption state of the water confined in MIL-101(Cr). To confirm that the general trend of the THz-FDS does not depend on the water model, the simulations are performed using three water models, namely, rigid SPC/E, flexible SPC/E, and rigid TIP5PEw.

Materials Institute Lavoisier (MIL) based materials for photocatalytic applications

Materials Institute Lavoisier (MIL) has attracted increasingly attention due to their unique properties. This article emphasizes the primary strategies to improve the photocatalytic activity of MILs, including modification, doping and derivation. Their applications in the field of photocatalysis are comprehensively summarized. In addition, the challenges and perspectives in future work are proposed. • MILs-based photocatalysts are summarized systematically. • Primary strategies to improve the photoactivity of MILs were discussed. • The synergistic effects between MILs and secondary components are summarized. • Prospects of design, synthesis and applications are investigated. As one of the most effective method to convert solar energy into chemical energy, photocatalysis has gained extensive attention over the recent years. Attributes such as excellent porous structure, ultrahigh surface area and abundant active sites give Materials Institute Lavoisier (MIL) an edge over conventional photocatalyst. Furthermore, the structure, surface active sites, light response range and charge separation efficiency of MILs can be adjusted through reasonable design and modification. Herein, the research progress of MIL-based materials for photocatalytic applications is reviewed. Special attention is paid to the photocatalytic mechanism and primary strategies to improve the photocatalytic activity, including modification, doping and derivation, which are reviewed from the aspects of structure, optical properties, and stability. The synergistic effects between MILs and secondary components in MIL-based composites are compared and summarized. Additionally, the development opportunities and unsolved problems of MIL-based materials in the field of photocatalysis are also discussed.

Synthesis of iron based-metal-organic framework nanocomposite and visible light pollutant degradation ability

Herein, Materials Institute Lavoisier (MIL) metal-organic framework (MOF) including NH2-MIL-101(Fe): NM-101), and NH2-MIL-101(Fe)/phosphotungstic acid (PA) composite with different amounts of PA (1, 2, and 3 g denoted as NMP-1, NMP-2, and NMP-3, respectively) were synthesized and used for light-emitting diode (LED) visible-light degradation of dye (Methylene Blue: MB) solution. The materials were characterized using FTIR, SEM, TEM, TGA, XRD, and PL. The data presented that the NMP-2 composite had the highest degradation ability. The degradation efficiency of NMP-2 for 50 and 110 mg/L of pollutant concentration was 99 % and 55 %, respectively. The degradation kinetics for 0.006 g of NMP-2 followed the zero-order kinetics with 0.0179 min−1 rate constant with high correlation (0.9558).

Review on synthesis and application of MIL-53

Abstract MIL-53 is a metal organic framework (MOF) belonging to the MIL (Material Institute Lavoisier) group. It is a 3-D framework, built up by the combination of metal salt (Al, Fe, Cr) and linker (terephthalic acid). It is well known for its flexibility in structure and the phenomenon of breathing. It was first synthesized in the year 2002 by Gerard Ferey using chromium salt and widely used for adsorption/separation applications due to its remarkable flexibility and porous structure. In the formation of MIL-53, different ranges of metal ions and linker are used which provides the possibility of the formation of different compositional variety. From the literatures reported in this paper, it was found that the researchers have used just three synthesis routes solvothermal, electrochemical, and microwave-assisted methods for the synthesis of MIL-53 and found to have only few applications. This paper aims to appraise the methods being used for synthesis of MIL-53 and its several applications.

Self‐Templated Hierarchically Porous Carbon Nanorods Embedded with Atomic Fe‐N4 Active Sites as Efficient Oxygen Reduction Electrocatalysts in Zn‐Air Batteries

AbstractIron‐nitrogen‐carbon materials are being intensively studied as the most promising substitutes for Pt‐based electrocatalysts for the oxygen reduction reaction (ORR). A rational design of the morphology and porous structure can promote the accessibility of the active site and the reactants/products transportation, accelerating the reaction kinetics. Herein, 1D porous iron/nitrogen‐doped carbon nanorods (Fe/N‐CNRs) with a hierarchically micro/mesoporous structure are prepared by pyrolyzing the in situ polymerized pyrrole on the surface of Fe‐MIL‐88B‐derived 1D Fe2O3 nanorods (MIL: Material Institut Lavoisier). The Fe2O3 nanorods not only partially dissolve to generate Fe3+ for initiating polymerization but serve as templates to form the 1D structure during polymerization. Furthermore, the pyrrole coated Fe2O3 nanorod architecture prevents the porous structure from collapsing and protects Fe from aggregation to yield atomic Fe‐N4 moieties during carbonization. The obtained Fe/N‐CNRs display exceptional ORR activities (E1/2 = 0.90 V) and satisfactory long‐term durabilities, exceeding those for Pt/C. Furthermore, the unprecedented Fe/N‐CNRs catalytic performance is demonstrated with Zn‐air batteries, including a superior maximum power density (181.8 mW cm−2), specific capacity (998.67 W h kg−1), and long‐term durability over 100 h. The prominent performance stems from the unique 1D structure, hierarchical pore system, high surface area, and homogeneously dispersed single‐atom Fe‐N4 moieties.

Selective Positioning of Nanosized Metal–Organic Framework Particles at Patterned Substrate Surfaces

Herein, we describe the selective positioning of metal-organic framework (MOF) nanoparticles UiO-66 (Universitet i Oslo; Zr6O4(OH)4(bdc)6; bdc2- = benzene-1,4-dicarboxylate) and MIL-101 (Material Institut Lavoisier, Cr3O(OH) (H2O)2(bdc)3) at defined positions on a patterned substrate. For this purpose, patterned alkyne- and carboxylic acid-terminated self-assembled organic monolayer (SAM)-modified silicon surfaces were prepared by liquid immersion and microcontact printing (μCP). Preformed UiO-66 and MIL-101 nanometer-sized MOFs (NMOFs) were synthesized by solvothermal synthesis, and the nanocrystallite particles' exterior surface was functionalized in order to generate reactive sites (such as azides and amines) at the NMOFs. Copper-catalyzed alkyne azide cycloaddition and N-hydroxysuccinimide-mediated amide formation were used to selectively position the NMOFs at the surface of pre-patterned substrates. The resulting surfaces were thoroughly investigated by scanning electron microscopy, infrared spectroscopy, and X-ray photoelectron spectroscopy, confirming the validity of the presented approach. We hope that our research paves the way for microsystem integration of NMOFs, for example, in microfluidic devices/reactors, and further investigation of their enhanced catalytic activity.

Bimetallic Al/Fe Metal-Organic Framework for highly efficient photo-Fenton degradation of rhodamine B under visible light irradiation

MIL–88B(Fe) (MIL: Materials Institute Lavoisier) and bimetallic Al/Fe Metal-Organic Framework (Al/Fe-MOF) were synthesized by the microwave-assistant method. The as-synthesized samples were used as an effective catalyst for photo-Fenton degradation of rhodamine B (RhB) under visible light irradiation. The Al/Fe-MOF catalyst caused to degrade more than 96% of RhB in up to 120 min with the rate of reaction reached 2.8 × 10−2 min−1, while the rate achieved using MIL–88B(Fe) reached 1.2 × 10−2 min−1. Besides, the reaction mechanism of RhB photo-Fenton degradation process over Al/Fe-MOF also investigated. These results indicate that Al/Fe-MOF has been considered as a potential catalyst for wastewater treatment.

Determination of chlorophenols in water by liquid chromatography method after magnetic solid phase extraction based on SiO2/MIL‐101@Fe3O4 nanoadsorbent

AbstractLiquid chromatographic determination of chlorophenols in water and wastewater samples was performed following magnetic solid phase extraction based on SiO2/MIL (Materials Institute Lavoisier)‐101@Fe3O4 nanoadsorbent. To the best of our knowledge, there is no report on the synthesis and application of SiO2/MIL‐101@Fe3O4 for enrichment and extraction of chlorophenols. The nanoadsorbent was characterized by scanning electron microscopy, transmission electron microscopy, Fourier Transform infrared spectroscopy, and vibrating sample magnetometry. One variable at a time and central composite design were used for optimization. The optimum conditions were achieved as following: pH value, 4.7; sample volume, 40 mL; nanoadsorbent amount, 25.0 mg; adsorption time, 3.5 min sonication; salt concentration, 10% w/v NaCl; eluent volume, 140 µL 0.01 mol/L HCl in methanol. After optimization, linearity was attained in the range of 0.2‐300 µg L−1 (r2 > 0.9978) and limits of detection were 0.06‐0.2 µg L−1. Method precision as relative standard deviation was less than 6.7% and enrichment factors were achieved in the range of 134–189. The proposed method based on using SiO2/MIL‐101@Fe3O4 nanoadsorbent is simple and fast owing to the magnetically‐assisted separation. Finally, the method was employed for the analysis of mineral water and wastewater samples with satisfactory results (recovery, 89–103%; relative standard deviation, 5.0–7.9%).

Porous aluminum-based DUT metal-organic frameworks for the transformation of CO2 into cyclic carbonates: A computationally supported study

Abstract Two aluminum-based DUT (Dresden University of Technology) metal organic frameworks were synthesized, and their structural and chemical properties were exploited for the cycloaddition reaction of CO2 and epoxide under solvent-free condition. Both the catalysts have the same supramolecular architecture but different ligands. DUT-5 (Al(OH)(bpdc), bpdc = 4,4′-biphenyldicarboxylate) has a higher number of acidic and basic sites and larger BET surface area and specific pore volume compared with DUT-4 (Al(OH)(ndc), ndc = 2,6-naphthalenedicarboxylate). The highly porous DUT-5 exhibited better catalytic conversion of epichlorohydrin (ECH) than DUT-4, with >99 % selectivity in the presence of tetrabutylammonium bromide (TBAB). Short linkered MIL-53 (MIL = Materials Institute Lavoisier) (Al(OH)(bdc), bdc = 1,4-benzenedicarboxylate) exhibited lower ECH conversion compared with DUT-4 and DUT-5, even though all the catalysts possessed the same crystal structure. DUT catalyst could be recycled at least five times without any noticeable loss in the ECH conversion. In addition, the mechanism for the DUT-5/TBAB mediated cycloaddition of CO2 to ECH, affording the five‐membered ECH carbonate, has been investigated in detail using the density functional theory. The energy barrier for the ECH ring opening in the presence of DUT-5/TBAB (15.14 kcal/mol) is significantly lower than those of un-catalyzed (61.96 kcal/mol) and TBAB-catalyzed (39.60 kcal/mol) reactions, clearly showing the vital role of the Al3+/Br− bifunctional catalyst system.

Strong Influence of Amine Grafting on MIL-101 (Cr) Metal–Organic Framework with Exceptional CO2/N2 Selectivity

Material Institut Lavoisier (MIL)-101, one of the metal–organic frameworks containing numerous coordinatively unsaturated sites, as well as high specific surface area, was synthetized under different protocols for CO2 adsorption and separation from N2. To improve its CO2 adsorption capacity, different amounts [10, 25, and 40 wt % of tetraethylenepentamine (TEPA)] were grafted to the parental MIL-101. Results revealed that TEPA-MIL-101 (40 wt %) showed one of the highest CO2 adsorption capacities (i.e., 3.76 mmol g–1 at 298 K at 1 bar) among existing MIL-101 and its modified moieties. This amount was 1.56 times greater than parental MIL-101 (in spite of having superior textural properties), which adsorbed 2.41 mmol g–1 CO2 at the same operational conditions. This can be attributed to the presence of polar functional groups in the porous structure of MIL-101 that enhance the interaction between CO2 active sites on the adsorbent surface. Isosteric heat of adsorption of CO2 and N2 on TEPA-MIL-101 (40 wt %) we...

Synthesis of porous metal-organic framework composite adsorbents and pollutant removal from multicomponent systems

Herein, MIL-101 (Fe)/phosphotungstic acid (PA) composites were synthesized and characterized. Materials Institute Lavoisier (MIL-101 (Fe)) composites as metal-organic frameworks (MOFs) with 0, 0.347, 0.694 and 1.042 mmol of PA were synthesized and denoted as MIL, MP-1, MP-2, and MP-3, respectively. The synthesized MOFs were used to remove organic contaminants from binary systems (BB:Basic Blue 41 and MB:Methylene Blue). The synthesized materials were characterized in detail. Pollutant removal obeyed the Langmuir isotherm and pseudo-second-order kinetic. The free energy of adsorption for MP-2 at 298, 308, 318 and 328 K was −15.24,-15.93, −16.63 and −17.32 kJ/mol for BB and −15.04, −15.02, −15.01 and −14.99 kJ/mol for MB, respectively. Adsorption by the synthesized materials was spontaneous and endothermic process. The multicomponent dye removal data indicated that the synthesized MIL-101 (Fe)/phosphotungstic acid (PA) composites could be used as efficient adsorbents for treating colored wastewater. In addition, the synthesized MOFs were recyclable and regenerable adsorbents.

Synthesis of Titanium Doped Iron Based Metal–Organic Frameworks and Investigation of Their Biological Activities

In this study, titanium has been successfully doped into the MIL (Material Institute Lavoisier, MIL) family Fe-based metal–organic framework MIL-101(Fe) and NH2-MIL-101(Fe) via an ex situ synthesis method. MIL-101(Fe) materials were characterized by SEM/EDX, XRD, FTIR, TGA, BET surface area and zeta potential analyses. Addition of titanium to all material structures had a significant effect on the BET surface areas. BET surface area of the MIL-101(Fe), Ti/MIL-101(Fe), NH2-MIL-101(Fe) and Ti/NH2-MIL-101(Fe) were determined as 3078, 1544, 1137 and 955 m2/g, respectively. Some biological activities of all materials were also investigated. Maximum DPPH scavenging ability of newly synthesized MIL-101(Fe) materials were determined as 89.32% with Ti/MIL-101(Fe). All of the tested compounds demonstrated pBR322 DNA cleavage activity. The in vitro antimicrobial activities of MOFs were screened on common bacteria and fungi. The most effective antimicrobial activity was achieved with NH2-MIL-101(Fe) and Ti/MIL-101(Fe) as 2 mg/L against L. pneumophila subsp. pneumophila.

Preparation of magnetic flower-like carbon-matrix composites with efficient electromagnetic wave absorption properties by carbonization of MIL-101(Fe)

Abstract As electromagnetic wave absorbers, carbon-matrix materials embedded with magnetic nanoparticles could meet both magnetic loss and dielectric loss requirement. In this work, magnetic Fe3C/C (denoted as FC-650) and Fe3C/Fe/C (denoted as FC-700) carbon-matrix composites were successfully fabricated via carbonization of Material Institute Lavoisier (MIL)-101(Fe). Particularly, both Fe3C/C and Fe3C/Fe/C owned flower-like structures formed by two-dimension flakes. Due to flower-like structures and components of the samples above, excellent electromagnetic wave absorption with dual-loss mechanism could be effectively realized. Fe3C/C possessed an optimal reflection loss of −39.43 dB at 14.00 GHz, measured with an absorption thickness of 2.00 mm. Moreover, it exhibited a broad effective bandwidth of 14.32 GHz (from 3.68 GHz to 18.00 GHz). The optimal reflection loss of Fe3C/Fe/C was up to −20.31 dB at 14.40 GHz corresponding to the absorption thickness of 2.00 mm. Multiple internal reflection, interfacial polarization, ferromagnetic resonance, interference cancelation and conduction loss might account for the absorption properties of the prepared magnetic carbon-matrix composites. This paper not only expands a new application aspect for MIL-101(Fe) as a precursor of magnetic materials, but also provides a simple approach to prepare flower-like electromagnetic wave absorbers.

Hollow Loofah‐Like N, O‐Co‐Doped Carbon Tube for Electrocatalysis of Oxygen Reduction

AbstractDesigning a highly active doped‐carbon‐based oxygen reduction reaction (ORR) electrocatalyst with optimal stability is a must if large‐scale implementations of fuel cells are to be realized. Developing controllable doping strategies is essential for achieving highly active catalysts. Herein, a facile doping strategy is developed by designing a precursor material with unique core–shell nanostructure, whereby the Materials Institute Lavoisier (MIL) metal–organic framework (MOF) and polyaniline are core and shell components, and serving as oxygen and nitrogen precursors, respectively. A novel hollow loofah‐like carbon tube (HLCT) catalyst is derived from precursor material with controllable heteroatom‐doping concentrations through modulating the mass ratio of MOF/aniline. The optimal HLCT‐1/2 catalyst, with a MOF/aniline mass ratio of 1/2, exhibits excellent ORR activity and stability in an alkaline medium. Remarkably, the half‐wave potential (0.88 V) and the current density (4.35 mA cm−2) at 0.85 V of HLCT‐1/2 catalyst surpass that of commercial Pt/C. Such superior catalytic properties can be attributed to the high specific surface area and abundant active sites of loofah‐shape carbon tubes. Moreover, the O dopant modulates the content and distribution of N species, leading to the enhanced adsorption strength of oxygen molecules on catalyst surface, promoting the activation of oxygen, and thus achieving higher electrocatalytic activity.

Facile and green synthesis of metal-organic framework/inorganic nanofiber using electrospinning for recyclable visible-light photocatalysis

Herein, Fe based metal-organic framework (Materials Institute Lavoisier: MIL100) and its nanocomposites with different titania nanofiber (TNF) amounts (0.05, 0.07 and 0.09 g denoted as MIL100/TNF5, MIL100/TNF7 and MIL100/TNF9) were synthesized using a facile and green procedure at room temperature and atmospheric pressure. The TNF inorganic nanofiber was synthesized using the electrospinning method. The nanomaterials were fully characterized. They were used for visible-light photocatalytic degradation of Methylene Blue (MB). The surface area of MIL100/TNF7 was 1194.48 m2/g. The data indicated the MIL100 diameters ranging from 22 to 72 nm. The decolorization percentage of the synthesized materials at different dosages including 0.003, 0.004, 0.005, and 0.006 g was 39.80, 54.96, 63.31, and 72.10% for MIL100, 25.50, 26.81, 29.23, and 35.62% for TNF and 46.42, 70.85, 88.3, 97.96 and 99.40% for MIL100/TNF7, respectively. The MIL100/TNF7 nanomaterial had higher dye degradation ability, reusability, and stability over five cycles. Dye degradation followed first-order kinetics.

Comparison of MIL-101(Fe) and amine-functionalized MIL-101(Fe) as photocatalysts for the removal of imidacloprid in aqueous solution

One of the attractive iron-based metal organic framework (MOF) MIL-101(Fe) (Material Institute Lavoisier, MIL) and amine-functionalized NH2-MIL-101(Fe) materials were synthesized by conventional solvothermal method and characterized by TGA (Thermo Gravimetric Analysis), SEM (Scanning Electron Microscopy), XRD (X-Ray Diffractograms), BET (Braunner Emmet Teller) and FTIR (Fourier Transform Infrared Spectroscopy). Characterization results indicated that MIL-101(Fe) materials have well defined morphology, good thermal stability, high surface area and also high porosity. These MOF materials were used as photocatalysts for photodegradation of a pesticide, imidacloprid (IMC). The response surface methodology (RSM) was applied in designing the IMC photodegradation experiments for evaluating the interactive effects of independent variables and determining the optimum condition. Central composite design as five independent variables such as initial MIL-101(Fe) concentration, initial IMC concentration, H2O2 concentration, pH and time were coded with low and high level and IMC removal percent was obtained as a response. As for the RSM results on the optimum photocatalytic condition, maximum IMC removal values were determined as 100% for the both catalysts in the end of the 30 min. The adsorption efficiencies of catalysts were also investigated and obtained results showed that amine-functionalized MIL-101(Fe) was the more effective sorbent than MIL-101(Fe).

Synthesis of porous polymer-based metal–organic frameworks monolithic hybrid composite for hydrogen storage application

Herein, we report a simple method for the preparation of cross-linked polymer of intrinsic microporosity (PIM-1)/Materials Institute Lavoisier chromium (III) terephthalate [MIL-101(Cr)] monoliths which involves direct impregnation of PIM-1 with MIL-101(Cr) powder by physical mixing in tetrachloroethane solvent. This procedure yields monoliths with high metal–organic framework (MOF) loading weight percentages of up to 80 wt% of MIL-101 powder with little loss of composite mechanical strength. From the nitrogen adsorption isotherms, it was observed that the PIM-1/80 wt% MIL-101(Cr) had good retention of MOF filler surface area and accessibility of its micropores with nearly no pore blocking effects. The hydrogen adsorption was also not far from the estimated hydrogen uptake capacity based on the MIL-101 weight percentage estimation. As a consequence of the highly porous nature of the hybrid material, PIM-1/MIL-101(Cr) composite has been considered as a promising material for inclusion in hybrid hydrogen storage cylinders. Moreover, these composites provided better handling compared to the crystalline powder MOFs without compromising the properties of MOF.

Activated carbon/metal-organic framework nanocomposite: Preparation and photocatalytic dye degradation mathematical modeling from wastewater by least squares support vector machine

Herein, Kiwi peel activated carbon (AC), Materials Institute Lavoisier (MIL-88B (Fe), and AC/MIL-88B (Fe) composite were synthesized and used as catalysts to degrade Reactive Red 198. The material properties were analyzed by the FTIR, BET-BJH, XRD, FESEM, EDX, TGA, and UV–Vis/DRS. The BET surface area of AC, MIL-88B (Fe) and AC/MIL-88B (Fe) was 1113.3, 150.7, and 199.4 m2/g, respectively. The band gap values (Eg) estimated by Tauc plot method, were obtained 5.06, 4.19 and 3.79 eV for AC, MIL-88B (Fe) and AC/MIL-88B (Fe), respectively. The results indicated that the AC/MIL-88B (Fe) composite had higher photocatalytic activity (99%) than that of pure AC (79%) and MIL-88B (Fe) catalysts (87%). The decolorization kinetic was matched well with the second-order model. Moreover, the data were modeled using least squares support vector machine which optimized with Cuckoo optimization algorithm. The optimal parameters were found 0.837 and 3.49e+02 based on σ2 and γ values, respectively. The mean square error (MSE) and correlation coefficient (R2) values were obtained 3.97 and 0.948. Therefore, the attained data, materials characterization and prediction of modeling validate the composite form of MIL-88B(Fe) with new AC, had better photocatalytic activity in comparison with the individual form.