Molecular dynamics simulation of electric field driven water and heavy metals transport through fluorinated carbon nanotubes

Panahi, Abbas; Shomali, Ali; Sabour, Mohammad Hossein; Ghafar-Zadeh, Ebrahim

doi:10.1016/j.molliq.2019.01.084

“…When a voltage is applied between anode and cathode, the induced electric field causes the migration of ligand anions to the anode (Figure 4 a). [38,39] Cu anode can capture HHTP anions via electrostatic forces, which promotes the coupling of Cu-HHTP on the anode surface. Nevertheless, the adsorption morphology of organic ligand ion on the anode surface is closely related to its molecular structure and packing density.…”

mentioning

confidence: 99%

Electrochemical Synthesis of Large Area Two‐Dimensional Metal–Organic Framework Films on Copper Anodes

Liu

¹

,

Wei

²

,

Liu

³

et al. 2020

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Owing to their excellent physical and electrical properties, metal–organic framework (MOF) materials with well‐defined supramolecular structures have received extensive research attention. However, the fabrication of large‐area two‐dimensional (2D) MOF films is still a significant challenge. Herein, we propose a novel electrochemical (EC) synthesis method for the preparation of large‐area Cu3(HHTP)2 MOF film on single‐crystal Cu (100) anode. The surface reaction was achieved via charge‐induced molecular assembly. The synthesized MOF film exhibited a high crystalline quality with an electrical conductivity of approximately 0.087 S cm−1, which was around 1000 times larger than the previously reported values for the same material prepared by the interface method. In addition, Cu2(MTCP), Cu3(BTPA)2, and Cu3(TPTC)2 MOF films were synthesized on Cu foil with the same strategy, which confirmed the universality of the proposed method. This controllable EC method can be effectively applied to the industrial‐scale production of 2D MOF films on Cu foil.

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“…Ideal modification of groups can achieve 100% desalination and obtain high water conductance [71]. To further increase CNTs' water flux, they should be modified at the same time as higher voltage (at 2 V) is applied [72]. Larger-diameter CNTs (diameter lower than 1.2 nm) can be selected owing to the more effective area for water molecule penetration at the entrance [73].…”

Section: The Characteristics Of Cnts Affecting the Water Flow Ratementioning

confidence: 99%

Recent Advances in Applications of Carbon Nanotubes for Desalination: A Review

Wang

¹

,

Chen

²

,

Wang

³

et al. 2020

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As a sustainable, cost-effective and energy-efficient method, membranes are becoming a progressively vital technique to solve the problem of the scarcity of freshwater resources. With these critical advantages, carbon nanotubes (CNTs) have great potential for membrane desalination given their high aspect ratio, large surface area, high mechanical strength and chemical robustness. In recent years, the CNT membrane field has progressed enormously with applications in water desalination. The latest theoretical and experimental developments on the desalination of CNT membranes, including vertically aligned CNT (VACNT) membranes, composited CNT membranes, and their applications are timely and comprehensively reviewed in this manuscript. The mechanisms and effects of CNT membranes used in water desalination where they offer the advantages are also examined. Finally, a summary and outlook are further put forward on the scientific opportunities and major technological challenges in this field.

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“…When a voltage is applied between anode and cathode, the induced electric field causes the migration of ligand anions to the anode (Figure 4 a). [38, 39] Cu anode can capture HHTP anions via electrostatic forces, which promotes the coupling of Cu‐HHTP on the anode surface. Nevertheless, the adsorption morphology of organic ligand ion on the anode surface is closely related to its molecular structure and packing density [40] .…”

Section: Figurementioning

confidence: 99%

“…Figure 2 a shows the simulated structure of Cu 3 (HHTP) 2 MOF based on A-A stacking, and there is an excellent agreement between experimental and theoretical results (Figure 2 b). [37,38] The four prominent diffraction peaks at 2q % 4.78, % 9.58, % 12.58, and % 27.58 can be assigned to the (100), (200), (210), and (002) crystal planes, respectively. [37] TEM is used to examine the microstructure of Cu 3 (HHTP) 2 MOF film.…”

mentioning

confidence: 99%

Electrochemical Synthesis of Large Area Two‐Dimensional Metal–Organic Framework Films on Copper Anodes

Liu

¹

,

Wei

²

,

Liu

³

et al. 2020

View full text Add to dashboard Cite

Owing to their excellent physical and electrical properties, metal–organic framework (MOF) materials with well‐defined supramolecular structures have received extensive research attention. However, the fabrication of large‐area two‐dimensional (2D) MOF films is still a significant challenge. Herein, we propose a novel electrochemical (EC) synthesis method for the preparation of large‐area Cu3(HHTP)2 MOF film on single‐crystal Cu (100) anode. The surface reaction was achieved via charge‐induced molecular assembly. The synthesized MOF film exhibited a high crystalline quality with an electrical conductivity of approximately 0.087 S cm−1, which was around 1000 times larger than the previously reported values for the same material prepared by the interface method. In addition, Cu2(MTCP), Cu3(BTPA)2, and Cu3(TPTC)2 MOF films were synthesized on Cu foil with the same strategy, which confirmed the universality of the proposed method. This controllable EC method can be effectively applied to the industrial‐scale production of 2D MOF films on Cu foil.

show abstract

Molecular dynamics simulation of electric field driven water and heavy metals transport through fluorinated carbon nanotubes

Cited by 20 publications

References 88 publications

Electrochemical Synthesis of Large Area Two‐Dimensional Metal–Organic Framework Films on Copper Anodes

Electrochemical Synthesis of Large Area Two‐Dimensional Metal–Organic Framework Films on Copper Anodes

Recent Advances in Applications of Carbon Nanotubes for Desalination: A Review

Electrochemical Synthesis of Large Area Two‐Dimensional Metal–Organic Framework Films on Copper Anodes

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