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Molecular Engineering for Enhanced Thermoelectric Performance of Single-Walled Carbon Nanotubes/π-Conjugated Organic Small Molecule Hybrids.

ABSTRACT: Hybridizing single-walled carbon nanotubes (SWCNTs) with π-conjugated organic small molecules (π-OSMs) offers a promising approach for producing high-performance thermoelectric (TE) materials through the facile optimization of the molecular geometry and energy levels of π-OSMs. Designing a twisted molecular structure for the π-OSM with the highest occupied molecular orbital energy level comparable to the valence band of SWCNTs enables effective energy filtering between the two materials. The SWCNTs/twisted π-OSM hybrid exhibits a high Seebeck coefficient of 110.4 ± 2.6 µV K^-1 , leading to a significantly improved power factor of 2,136 µW m^-1 K^-2 , which is 2.6 times higher than that of SWCNTs. Moreover, a maximum figure of merit over 0.13 at room temperature is achieved via the efficient TE transport of the SWCNTs/twisted π-OSM hybrid. The study highlights the promising potential of optimizing molecular engineering of π-OSMs for hybridization with SWCNTs to create next-generation, efficient TE materials.

SUBMITTER: Kim TH

PROVIDER: S-EPMC10667833 | biostudies-literature | 2023 Nov

REPOSITORIES: biostudies-literature

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Molecular Engineering for Enhanced Thermoelectric Performance of Single-Walled Carbon Nanotubes/π-Conjugated Organic Small Molecule Hybrids.

Kim Tae-Hoon TH Jang Jae Gyu JG Kim Sung Hyun SH Hong Jong-In JI

Advanced science (Weinheim, Baden-Wurttemberg, Germany) 20231020 33

Hybridizing single-walled carbon nanotubes (SWCNTs) with π-conjugated organic small molecules (π-OSMs) offers a promising approach for producing high-performance thermoelectric (TE) materials through the facile optimization of the molecular geometry and energy levels of π-OSMs. Designing a twisted molecular structure for the π-OSM with the highest occupied molecular orbital energy level comparable to the valence band of SWCNTs enables effective energy filtering between the two materials. The SWC ...[more]

PMID: 37863818

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Project description:This study investigated the removal of Total Organic Carbon (TOC) from produced water by batch adsorption process using adsorbents developed from Multi-Walled Carbon Nanotubes (MWCNTs). The MWCNTs, synthesized by catalytic chemical vapour deposition method using kaolin-supported tri-metallic (iron-cobalt-nickel) catalyst were purified by H2SO4/HNO3 and then functionalized with 1-pyrenebutanoic acid N-hydroxyl succinimidyl ester (PSE). The raw, purified and functionalized MWCNTs were characterized by High Resolution Scanning Electron Microscopy (HRSEM), High Resolution Transmission Electron Microscopy (HRTEM), Brunauer-Emmett-Teller (BET) and Fourier Transform Infrared Spectroscopy (FTIR). In the results, HRSEM/HRTEM revealed the structure, purity and also confirmed the attachment of the PSE molecule onto the nano-adsorbent(s). The BET surface areas of MWCNTs, PMWCNTs and FMWCNTs were 970.17, 869.25 and 831.80 m2/g, respectively while the FTIR established the existence of surface functional groups. The functionalized MWCNTs (FMWCNTs) nano-adsorbent showed superior performance efficiency (93.6%) than the purified MWCNTs (PMWCNTs) (79.2%) as examined under the same batch adsorption condition: 0.02 g adsorbent dosage, 10-90 min contact time and 30 °C solution temperature probably, due the improved wettability resulted from incorporation of PSE. Subsequently, Central Composite Design (CCD) was applied to optimize the process parameters for the sorption of TOC onto FMWCNTs. The CCD in the response surface methodology predicted 260 mg/g adsorption capacity of FMWCNTs in the removal of TOC at the optimum condition of 49.70 min contact time, 34.81 °C solution temperature, and 0.02 g adsorbent dosage. The kinetics data were best described by pseudo-second-order model and thermodynamic parameters suggested that the process was feasible, spontaneous and exothermic. It can be inferred from the various analysis conducted that the developed FMWCNTs nano-adsorbent is effective for removal of TOC from oil-produced water and may be explored for removal of organic contaminants from other industrial wastewater.

Dataset Information

Molecular Engineering for Enhanced Thermoelectric Performance of Single-Walled Carbon Nanotubes/π-Conjugated Organic Small Molecule Hybrids.

Publications

Molecular Engineering for Enhanced Thermoelectric Performance of Single-Walled Carbon Nanotubes/π-Conjugated Organic Small Molecule Hybrids.

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