Related references
Note: Only part of the references are listed.
Article
Chemistry, Multidisciplinary
Hengyue Xu et al.
Summary: This article introduces a bio-inspired theoretical design approach to construct an efficient CO2 electrocatalytic reduction catalyst. By comparing with the natural CO dehydrogenase, the study found that this biomimetic structure has better performance in CO2 activation. Density functional theory calculations reveal the CO2 electroreduction pathways and confirm the consistency with experimental nickel-based catalytic materials. This research showcases the rational design of high-performance catalytic materials via the bio-inspired methodology at the atomic level.
Article
Chemistry, Multidisciplinary
Wei Xiao et al.
Summary: This study investigates the molecular modification of transition metal oxides (TMOs) by coupling them with Li+ conductive polymer ligands. The introduction of organic ligands into the VOx crystal structure successfully synthesizes vanadyl ethylene glycolate (VEG), which exhibits excellent performance in Li-S batteries. The VEG-based cells demonstrate high rate reversibility, cyclic stability, and long cycle life without the addition of conducting agents.
Article
Engineering, Environmental
Lijinhong Huang et al.
Summary: In this study, three-dimensional porous polymers were successfully prepared using benzimidazole and benzoxazole via a one-pot synthesis. The materials exhibited high surface areas and pore volumes, making them suitable for the adsorption and removal of heavy rare earth ions.
JOURNAL OF WATER PROCESS ENGINEERING
(2023)
Article
Chemistry, Physical
Menglin Li et al.
Summary: This study develops a novel copper-based adsorbent using metal-organic frameworks (MOFs) to capture toxic radioiodine. The adsorbent shows high iodine uptake capacities and improved iodine selectivity.
APPLIED SURFACE SCIENCE
(2023)
Article
Engineering, Environmental
Wen Zhang et al.
Summary: The introduction of fluorinated groups into MOFs improves the iodine adsorption performance under high humidity conditions, enhancing both structural stability and adsorption selectivity.
CHEMICAL ENGINEERING JOURNAL
(2023)
Article
Chemistry, Physical
Sen Qiu et al.
Summary: A systematic study of La(III) adsorption on the kaolinite surface was conducted using periodic DFT calculations. The study investigated the adsorption position, coordination number, coordination geometry, and adsorption type. It was found that the inner-layer adsorption model dominated by coordination bonds between La and surface oxygen, and the outer-layer adsorption model was related to hydrogen bonds. Experimental results confirmed that [La(H2O)(10)](3+) was more stable than [La(OH)(H2O)(8)](2+) during adsorption on the kaolinite surface.
JOURNAL OF MOLECULAR LIQUIDS
(2022)
Article
Chemistry, Physical
Eman M. Allam et al.
Summary: This study presents a novel adsorbent, sodium diethyldithiocarbamate/polyvinyl chloride (DdTC/PVC), for rare earth element (REE) sorption, which has higher adsorption properties and easier synthesis compared to other sorbents. The three-liquid-phase extraction technique (TLPE) was used to separate REEs into three groups. The synthesized DdTC/PVC was characterized and the factors affecting the sorption process were analyzed. The desorption of rare earth ions from DdTC/PVC was also investigated. The extracted rare earth oxalate concentrate was utilized for further separation into three groups via TLPE. This technique is simple and suitable for extracting REEs.
Article
Geochemistry & Geophysics
Zhiqiang Zou et al.
Summary: In this study, density functional theory calculations were used to investigate the adsorption mechanisms and bonding characteristics of hydrated Pr, Mg and NH4 ions on the (001) surface of montmorillonite. The adsorption energies of hydrated Pr, Mg, and NH4 ions were determined to be -1182, -206, and -188 kJ/mol, respectively. Higher concentrations of Mg and NH4 ions are required in the leaching process of ion-adsorption rare earth ores.
Article
Chemistry, Multidisciplinary
Ahmed R. Weshahy et al.
Summary: Considering the importance of rare earth elements (REEs) in various industries, it is crucial to develop an efficient separation method. This study focuses on recovering REEs from spent nickel-metal hydride batteries using ammonium sulfate. The chemical composition of the batteries was analyzed and the optimal leaching conditions for REE extraction were determined. The results showed that nearly 99.98% of REEs and almost all zinc can be dissolved under specific conditions. The study also demonstrated the successful separation of REEs and zinc, as well as the individual separation of cerium through acid baking.
Article
Geochemistry & Geophysics
Xiangrong Zeng et al.
Summary: In this study, density functional theory was used to investigate the adsorption behavior of Y(III) rare earth ions on clay mineral interfaces, and the chemical bonds of the adsorption structures were analyzed. The results revealed that Y(III) forms chemical bonds with oxygen and water molecules at the interfaces, and adsorbs on the surface in the form of metal ion hydrate.
Article
Nanoscience & Nanotechnology
Hengyue Xu et al.
Summary: In this study, the unique noncovalent terminal cr-hole phenomenon in 3d-metal-based nanorods was discovered and its impact on the properties of nanorods was investigated. The results showed that the terminal cr-hole enhances electronic transport and chemical adsorption capability of the nanorods, providing critical guidance for the rational design of nanomaterials.
ACS APPLIED MATERIALS & INTERFACES
(2022)
Article
Chemistry, Physical
Zhijun Zhang et al.
Summary: The study investigated the microscopic adsorption mechanism of Mg2+ and K+ on kaolinite (001) surface in aqueous system using density functional theory (DFT) calculations and ab-initio molecular dynamics (AIMD) simulations. The dominant complexes of hydrated Mg2+ and K+ in aqueous environment were identified, with bidentate complexes of Mg2+ and monodentate complexes of K+ being their respective dominant complexes. The binding energies of all the adsorption complexes of Mg2+ were found to be higher than those of K+, indicating that Mg2+ is easier to adsorb on kaolinite surface than K+.
APPLIED SURFACE SCIENCE
(2021)
Article
Chemistry, Physical
Jessica E. Heimann et al.
Summary: The physio-chemical properties of kaolinite, the main component of porcelain, play a crucial role in understanding its interactions with the environment. Probing how different chemicals interact with kaolinite surfaces, the study highlights the harmful effects of protic acids and sodium salts, as well as adsorbates containing a central sulfur atom with a positive oxidation state. The findings provide insights for developing conservation methods for porcelain objects based on the identified trends.
APPLIED CLAY SCIENCE
(2021)
Article
Chemistry, Multidisciplinary
Lijinhong Huang et al.
Summary: This study developed a novel nanostructured adsorbent using functionalized multi-walled carbon nanotubes and magnetic Fe3O4 nanoparticles, which can efficiently extract low concentration of lanthanum ions from water. The adsorbent exhibited high lanthanum adsorption capacity and excellent recovery efficiency.
Article
Chemistry, Physical
Chen Jun et al.
APPLIED SURFACE SCIENCE
(2019)
Article
Chemistry, Physical
Jun Chen et al.
APPLIED SURFACE SCIENCE
(2019)
Article
Engineering, Environmental
Hang Chen et al.
CHEMICAL ENGINEERING JOURNAL
(2019)
Article
Metallurgy & Metallurgical Engineering
Zheng-yan He et al.
TRANSACTIONS OF NONFERROUS METALS SOCIETY OF CHINA
(2016)
Article
Metallurgy & Metallurgical Engineering
Xiao Yanfei et al.
Article
Metallurgy & Metallurgical Engineering
Yan-fei Xiao et al.
TRANSACTIONS OF NONFERROUS METALS SOCIETY OF CHINA
(2015)
Article
Chemistry, Physical
Seung Geol Lee et al.
APPLIED CLAY SCIENCE
(2013)
Article
Chemistry, Applied
Zeng Shanghong et al.
JOURNAL OF RARE EARTHS
(2011)
Review
Materials Science, Multidisciplinary
D Brown et al.
JOURNAL OF MAGNETISM AND MAGNETIC MATERIALS
(2002)
