A5069062661- Graphene research and applications
- Metal-Organic Frameworks: Synthesis and Applications
- Advanced Photocatalysis Techniques
- MXene and MAX Phase Materials
- 2D Materials and Applications
- Diamond and Carbon-based Materials Research
- Boron and Carbon Nanomaterials Research
- Membrane Separation and Gas Transport
- Covalent Organic Framework Applications
- Electrocatalysts for Energy Conversion
- Catalytic Processes in Materials Science
- Advancements in Battery Materials
- Gas Sensing Nanomaterials and Sensors
- Carbon Dioxide Capture Technologies
- Electronic and Structural Properties of Oxides
- ZnO doping and properties
- Perovskite Materials and Applications
- Machine Learning in Materials Science
- High-pressure geophysics and materials
- Supercapacitor Materials and Fabrication
- Carbon dioxide utilization in catalysis
- Catalysis and Oxidation Reactions
- Solid-state spectroscopy and crystallography
- Copper-based nanomaterials and applications
- Carbon Nanotubes in Composites
École Nationale Supérieure de Chimie de Montpellier
2021-2024
Université de Montpellier
2021-2024
Centre National de la Recherche Scientifique
2021-2024
Liaocheng University
2021-2024
Institut Charles Gerhardt Montpellier
2022-2024
Xiangtan University
2023-2024
Chongqing Jiaotong University
2024
Zhejiang University of Technology
2016-2023
Hangzhou Xixi hospital
2017-2020
Hangzhou Academy of Agricultural Sciences
2018
Conventional separation technologies to separate valuable commodities are energy intensive, consuming 15% of the worldwide energy. Mixed-matrix membranes, combining processable polymers and selective adsorbents, offer potential deploy adsorbent distinct properties into matrix. We report rational design construction a highly efficient, mixed-matrix metal-organic framework membrane based on three interlocked criteria: (i) fluorinated framework, AlFFIVE-1-Ni, as molecular sieve that selectively...
Membrane technology, regarded as an environmentally friendly and sustainable approach, offers great potential to address the large energy penalty associated with energy-intensive propylene/propane separation. Quest for molecular sieving membranes this important separation is of tremendous interest. Here, a fluorinated metal-organic framework (MOF) material, known KAUST-7 (KAUST: King Abdullah University Science Technology) well-defined narrow 1D channels that can effectively discriminate...
The separation of high-value-added chemicals from organic solvents is important for many industries. Membrane-based nanofiltration offers a more energy-efficient than the conventional thermal processes. Conceivably, mixed-matrix membranes (MMMs), encompassing metal-organic frameworks (MOFs) as fillers, are poised to promote selective via molecular sieving, synergistically combining polymers flexibility and fine-tuned porosity MOFs. Nevertheless, direct mixing MOFs with polymer solutions...
Abstract CALF-20 was recently identified as a benchmark sorbent for CO 2 capture at the industrial scale, however comprehensive atomistic insight into its mechanical/thermal properties under working conditions is still lacking. In this study, we developed general-purpose machine-learned potential (MLP) MOF framework that predicts thermodynamic and mechanical of structure finite temperatures within first-principles accuracy. Interestingly, demonstrated to exhibit both negative area...
Machine learning potential is required to accurately describe the interactions between challenging H 2 molecules and metal organic frameworks containing open sites.
Abstract Herein, a robust microporous aluminum tetracarboxylate framework, MIL‐120(Al)‐AP, (MIL, AP: Institute Lavoisier and Ambient Pressure synthesis, respectively) is reported, which exhibits high CO 2 uptake (1.9 mmol g −1 at 0.1 bar, 298 K). In situ Synchrotron X‐ray diffraction measurements together with Monte Carlo simulations reveal that this structure offers favorable capture configuration the pores being decorated density of µ ‐OH groups accessible aromatic rings. Meanwhile, based...
The current paradigm considers the control of MOF/polymer interface mostly for achieving a good compatibility between two components to ensure fabrication continuous mixed-matrix metal-organic framework (MMMOF) membranes. Here, we unravel that interfacial pore shape nanostructure plays key role an optimum molecular transport. prototypical ultrasmall AlFFIVE-1-Ni MOF was assembled with polymer PIM-1 design composite gradually expanding from entrance region. Concentration gradient–driven...
Abstract Incorporation of defects in metal–organic frameworks (MOFs) offers new opportunities for manipulating their microporosity and functionalities. The so‐called “defect engineering” has great potential to tailor the mass transport properties MOF/polymer mixed matrix membranes (MMMs) challenging separation applications, example, CO 2 capture. This study first investigates impact MOF on membrane resultant MMMs separation. Highly porous defect‐engineered UiO‐66 nanoparticles are...
Formic acid is considered as one of the most promising liquid organic hydrogen carriers. Its catalytic dehydrogenation process generally suffers from low activity, reaction selectivity, stability catalysts, and/or use noble-metal-based catalysts. Herein we report a highly selective, efficient, and noble-metal-free photocatalyst for formic acid. This catalyst, UiO-66(COOH)2-Cu, built by postmetalation carboxylic-functionalized Zr-MOF with copper. The visible-light-driven photocatalytic...
Abstract Here, this work reports an innovative strategy for the synthesis of chemically robust metal–organic frameworks (MOFs), and applies them as catalysts electrocatalytic oxygen evolution reaction (OER). A bimetallic squarate‐based MOF (Sq‐MOF) with a zbr topology serves excellent platform OER owing to its open porous structure, high affinity toward water, presence catalytically active 1D metal hydroxide strips. By regulating Ni 2+ content in squarate system, electrochemical structural...
A series of linker-substituted ultramicroporous CALF-20 metal–organic frameworks (MOFs) were built in silico, and their CO2 capture performances over N2 flue gas conditions systematically computationally explored. Among the various linker substitutions explored, squarate-linker-incorporated (SquCALF-20) was demonstrated to show a larger uptake at 0.15 bar (3.6 mmol/g) higher CO2/N2 selectivity (500) dry compared pristine CALF-20. Interestingly, this MOF shown maintain high level performance...
Photocatalytic hydrogen production technology has emerged as one of the most promising technologies to address future energy crisis. Cd0.9Zn0.1S (CZS) is a photocatalyst for visible light activation but limited by slow kinetics photoexcited carrier separation. Density functional theory (DFT) calculations based on first-principles showed that introduction cocatalyst, N-doped graphite carbon (FC@NC), could effectively reduce adsorption free hydrogen, thus accelerating reaction CZS. Supported...
Poly(heptazine imides) (PHIs) have emerged as prominent layered carbon nitride-based materials with potential oxygen evolution reaction (OER) catalytic activity owing to their strong VIS light absorption, long excited-state lifetimes, high surface-to-volume ratios, and the possibility of tuning properties via hosting different metal ions in pores. A series metal-ion-doped PHI-M (M = K+, Rb+, Mg2+, Zn2+, Mn2+, Co2+) were first systematically explored using density functional theory...
Metal–organic frameworks MIL-53(Al)-TDC and MIL-53(Al)-BDC were explored in the SO2 adsorption process. was shown to behave as a rigid-like material upon adsorption. On other hand, exhibits guest-induced flexibility of framework with presence multiple steps isotherm that related through molecular simulations existence three different pore opening phases narrow pore, intermediate large pore. Both materials proved be exceptional candidates for capture, even under wet conditions, excellent...
The search of new two-dimensional (2D) materials with novel optical and electronic properties is always desirable for material development. Here, we report a comprehensive theoretical prediction 2D SiC compounds different stoichiometries from C-rich to Si-rich. Besides the previously known hexagonal sheet, identified two types hitherto-unknown structural motifs distinctive bonding features. first type monolayer, including t-SiC t-Si$_2$C can be described by tetragonal lattice. Among...
Current MOF/polymer mixed matrix membranes (MMMs) design relies on the assumption that it is necessary to avoid interfacial porosity in order achieve high-level gas-separation performances, but this valid all cases, for separation mechanisms? This communication proves not always true by considering NUS-8/PIM-1, a prototypical MMM CO2 capture. Our molecular simulations approach integrating quantum calculations, force field-based Monte Carlo, and equilibrium/non-equilibrium dynamics...
Photocatalytic water splitting, using solar energy to obtain hydrogen, is an ideal technology for producing new energy. In the process of photocatalysis, improvement catalytic performance catalysts used a matter great concern scientists. So far, there are many problems preventing improvements in photocatalytic performance. this paper, we propose atom-doping method, which effective method improve We present type graphene-like carbon nitride material, whose primitive cell composed 12 atoms and...
MOF/polymer adhesion in Mixed Matrix Membranes (MMMs) has been mainly enhanced so far via MOF and/or polymer functionalization to strengthen the interactions between two components. This strategy, albeit effective, is generally accompanied by a drop permeability selectivity performance of MMMs. In this contribution, engineering structure defects at surfaces proposed as an effective route create pockets that immobilize part chain, which crucial importance both avoid plasticization issues and...
The influence of Ni( ii ) coordinatively unsaturated metal sites and coordinated water on the SO 2 adsorption performance NiBDP were investigated.
Two-dimensional (2D) metal-organic frameworks (MOFs) hold immense potential for various applications due to their distinctive intrinsic properties compared 3D analogues. Herein, we designed a highly stable NiF
High-performance electrode materials are critical for the development of next-generation energy conversion and storage systems. Herein, we report a theoretical design novel two-dimensional materials, namely, tetragonal titanium carbide nitride (tetr-TiC tetr-TiN) based on ab initio calculations. State-of-the-art calculations show that tetr-TiC tetr-TiN deliver intrinsic metallic nature, high thermal stability, satisfactory lithium-ion rate capability. More importantly, compared with...