The adsorption of heavy metal on iron (oxyhydr)oxides is one of the most vital geochemical/chemical processes controlling the environmental fate of these contaminants in natural and engineered systems. Traditional experimental methods to investigate this process are often time-consuming and labor-intensive due to the complexity of influencing factors. Herein, a comprehensive database containing the adsorption data of 11 heavy metals on 7 iron (oxyhydr)oxides was constructed, and the machine learning models was successfully developed to predict the adsorption efficiency. The random forest (RF) models achieved high prediction performance (R > 0.9, RMSE < 0.1, and MAE < 0.07) and interpretability. Key factors influencing heavy metal adsorption efficiency were identified as mineral surface area, solution pH, metal concentration, and mineral concentration. Additionally, by integrating our previous binding configuration models, we elucidated the simultaneous effects of input features on adsorption efficiency and binding configuration through partial dependence analysis. Higher pH simultaneously enhanced adsorption efficiency and affinity for cations, whereas lower pH benefited that for oxyanions. While higher mineral surface area improved the metal adsorption efficiency, the adsorption affinity could be weakened. This work presents a data-driven approach for investigating metal adsorption behavior and elucidating the influencing mechanisms from macroscopic to microcosmic scale, thereby offering comprehensive guidance for predicting and managing the environmental behavior of heavy metals.
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http://dx.doi.org/10.1016/j.scitotenv.2024.175370 | DOI Listing |
Inorg Chem
January 2025
School of Chemistry and Chemical Engineering, School of Pharmacy, Jiangsu University, Zhenjiang 212013, P. R. China.
Electrochemical water splitting is a promising method for the generation of "green hydrogen", a renewable and sustainable energy source. However, the complex, multistep synthesis processes, often involving hazardous or expensive chemicals, limit its broader adoption. Herein, a nitrate (NO) anion-intercalated nickel-iron-cerium mixed-metal (oxy)hydroxide heterostructure electrocatalyst is fabricated on nickel foam (NiFeCeOH@NF) via a simple electrodeposition method followed by cyclic voltammetry activation to enhance its surface properties.
View Article and Find Full Text PDFJ Colloid Interface Sci
December 2024
MOE Laboratory for Earth Surface Processes, College of Urban and Environmental Sciences, Peking University, Beijing 100871, China. Electronic address:
The natural minerals with semiconducting properties possess photochemical activity through generating reactive oxygen species (ROSs) and affect the fate of adsorbed organic pollutants. Iron oxyhydroxides occur in different polymorphic structures under various geological and climatic conditions in natural environment. However, the difference in their photoactivity has not been well understood.
View Article and Find Full Text PDFSci Total Environ
January 2025
Engineering Research Center of Watershed Carbon Neutralization, Ministry of Education, Nanchang University, Nanchang 330031, China; School of Resources and Environment, Nanchang University, Nanchang 330031, China. Electronic address:
Iron (Fe) (oxyhydr)oxides and natural organic matter (NOM) are active substances ubiquitously found in sediments. Their coupled transformation plays a crucial role in the fate and release risk of heavy metal(loid)s (HMs) in lake sediments. Therefore, it is essential to systematically obtain relevant knowledge to elucidate their potential mechanism, and whether HMs provide immobilization or mobilization effect in this ternary system.
View Article and Find Full Text PDFJ Colloid Interface Sci
December 2024
Key Laboratory of Synthetic and Natural Functional Molecule of the Ministry of Education, College of Chemistry and Materials Science, Northwest University, Xi'an 710127, China; Shaanxi Key Laboratory for Carbon Neutral Technology, Northwest University, Xi'an 710127, China. Electronic address:
The rational design of highly efficient and cost-effective oxygen evolution reaction (OER) electrocatalysts is crucial for hydrogen production through electrocatalytic water splitting. Although the crystalline/amorphous heterostructure shows great potential in enhancing OER activity, its fabrication presents significantly greater challenges compared to that of crystalline/crystalline heterostructures. Herein, a microwave irradiation strategy is developed to construct reduced graphene oxide supported crystalline NiP/amorphous FePO heterostructure (NiP/FePO/RGO) as an efficient OER electrocatalyst.
View Article and Find Full Text PDFEnviron Sci Technol
January 2025
Soil Chemistry Group, Institute of Biogeochemistry and Pollutant Dynamics, CHN, ETH Zürich, 8092 Zürich, Switzerland.
Coastal sediments are a key contributor to oceanic phosphorus (P) removal, impacting P bioavailability and primary productivity. Vivianite, an Fe(II)-phosphate mineral, can be a major P sink in nonsulfidic, reducing coastal sediments. Despite its importance, vivianite formation processes in sediments remain poorly understood.
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