Lee, Seongbin Kim, Sooyeon Han, Sang Soo Kim, Dong-Wan Lee, Ji won Oh, Youngtak 2024-01-12T06:33:45Z 2024-01-12T06:33:45Z 2023-09-08 2023-10 1385-8947 https://pubs.kist.re.kr/handle/201004/79813 Volatile organic compounds (VOCs) produced from a wide range of industrial and household chemicals are toxic to human health. Hence, effective VOC removal strategies such as adsorption are essential. Developing a carbon-based adsorbent for the selective adsorption of VOCs without affecting its inherent adsorption capacity is challenging. In this study, we prepared three Fe3O4-doped reduced graphene oxide (Fe-rGO) materials via a liquid-phase reduction technique under acidic, neutral, and basic coagulation conditions. The Fe-rGO adsorbents exhibited a hydrolysis-induced GO network with a wrinkled layer morphology. Acidic conditions yielded an rGO surface with a large number of O-functional groups (epoxy and carboxylic groups), which act as anchoring sites for the growth of Fe3O4 nanoparticles. The synergistic effect of Fe3O4 domains and O active sites led to the effective and selective adsorption of amphiphilic VOCs including C4-C7 alkanes, ketones, and aromatic compounds (10.8？63.2 mg g？1). Experimental analyses and density functional theory calculations revealed three crucial factors that determine the improved amphiphilic VOC adsorption of the Fe-rGO materials: geometry of the adsorbate, hydrogen bonding at the rGO surface, and Fe3O4 nanoparticles controlling the charge density. Our facile and effective rGO surface manipulation strategy involving the fabrication of a metal oxide？carbon heterostructure provides a selective adsorption platform for amphiphilic VOCs. English Elsevier BV Effect of adsorbate geometry and hydrogen bonding on the enhanced adsorption of VOCs by an interfacial Fe3O4-rGO heterostructure Article 10.1016/j.cej.2023.145346 1 Chemical Engineering Journal, v.473 Chemical Engineering Journal 473 N scie scopus 001087259500001 Engineering, Environmental Engineering, Chemical Engineering Article VOLATILE ORGANIC-COMPOUNDS RAY PHOTOELECTRON-SPECTROSCOPY GRAPHENE OXIDE ACTIVATED CARBON MOLECULAR-DYNAMICS RAMAN-SPECTRA PARTICLE-SIZE IRON-OXIDE OXIDATION NANOPARTICLES Volatile organic compounds Reduced graphene oxide Interfacial heterostructure Geometric gas adsorption Density functional theory