Fenton's reagent provides a method to produce active hydroxyl radicals (˙OH) for chemical oxidation by mixing iron oxide and hydrogen peroxide, which divides into homogeneous and heterogeneous Fenton's reagent. Heterogeneous Fenton's reagent is fabricated from HO and various iron oxide solid materials, such as α-FeOOH, α-FeO, and FeO. FeO possesses the Fe/Fe mixed valence oxidational state and has been reported to have good catalytic activity. However, the reaction mechanism of HO decomposition on FeO surfaces is still unclear. In this work, we performed DFT calculations to investigate the HO decomposition mechanisms over the FeO(311) surface. There are two iron environments for HO adsorption and decomposition on the FeO(311) surface, a Fe/Fe environment and a Fe/Fe environment. We found that the HO can adsorb on the Fe/Fe environment by molecular adsorption but by dissociative adsorption on the Fe/Fe environment. Our results show that both adsorption structures can produce two OH groups on the FeO(311) surface thermodynamically. In addition, based on the electronic property analysis, HO on the Fe/Fe environment follows the Haber-Weiss mechanism to form one OH anion and one OH radical. On the other hand, HO on the Fe/Fe environment follows the radical mechanism to form two OH radicals. In particular, the OH radical formed on Fe/Fe has energy levels on both sides of the Fermi energy level. It can be expected that this OH radical has good redox activity.
Download full-text PDF |
Source |
|---|---|
| http://www.ncbi.nlm.nih.gov/pmc/articles/PMC9043428 | PMC |
| http://dx.doi.org/10.1039/d1ra06943h | DOI Listing |
Publication Analysis
Top Keywords
Similar Publications
Magnetic nanoparticles of Nd2Fe14B prepared by ethanol-assisted wet ball milling technique.
Sci Rep
January 2025
Environmental and Occupational Hazards Control Research Center, Research Institute for Health Sciences and Environment, Shahid Beheshti University of Medical Sciences, Tehran, Iran.
The magnetic material Nd2Fe14B is one of the strongest magnetic materials found in nature. The demand for the production of these nanoparticles is significantly high due to their exceptional properties. The aim of the present study is to synthesize magnetic nanoparticles of Nd2Fe14B using ethanol in the wet ball milling technique (WBMT).
View Article and Find Full Text PDFIron-oxidizing microorganisms affect the iron-bound organic carbon in the subsoil of alpine grassland during the thawing of seasonal frozen soil.
Front Microbiol
January 2025
College of Grassland Science, Xinjiang Agricultural University, Urumqi, China.
Iron (Fe) minerals possess a huge specific surface area and high adsorption affinity, usually considered as "rust tanks" of organic carbon (OC), playing an important role in global carbon storage. Microorganisms can change the chemical form of Fe by producing Fe-chelating agents such as side chains and form a stable complex with Fe(III), which makes it easier for microorganisms to use. However, in seasonal frozen soil thawing, the succession of soil Fe-cycling microbial communities and their coupling relationship with Fe oxides and Fe-bound organic carbon (Fe-OC) remains unclear.
View Article and Find Full Text PDFUnveiling Aqueous Potassium-Ion Batteries with Prussian Blue Analogue Cathodes.
Small
January 2025
Confucius Energy Storage Lab, Key Laboratory of Energy Thermal Conversion and Control of Ministry of Education, Z Energy Storage Center & School of Energy and Environment, Southeast University, Nanjing, 211189, P. R. China.
Aqueous rechargeable potassium-ion batteries have considerable advantages and potentials in the application of large-scale energy storage systems, owing to its high safety, abundant potassium resources, and environmental friendliness. However, the practical applications are fraught with numerous challenges. Identification of suitable cathode materials and potassium storage mechanisms are of great significance.
View Article and Find Full Text PDFMolecular Adjustment to a Social Niche: Brain Transcriptomes Reveal Divergent Influence of Social Environment on the Two Queen Morphs of the Ant Temnothorax rugatulus.
Mol Ecol
January 2025
Institute of Organismic and Molecular Evolution, Johannes Gutenberg University, Mainz, Germany.
Social insects form complex societies with division of labour between different female castes. In most species, a single queen heads the colony; in others, several queens share the task of reproduction. These different social organisations are often associated with distinct queen morphologies and life-history strategies and occur in different environments.
View Article and Find Full Text PDFCompetitive adsorption of arsenate and phosphate on hematite facets: Molecular insights for enhanced arsenic retention.
Water Res
March 2025
State Environmental Protection Key Laboratory of Source Apportionment and Control of Aquatic Pollution & School of Environmental Studies & State Key Laboratory of Biogeology and Environmental Geology, China University of Geosciences, Wuhan 430074, China.
Understanding the competition for adsorption between arsenate and other common oxyanions at mineral-water interfaces is critical for enhancing arsenate retention in the subsurface environment and mitigating exposure risks. This study investigated the competitive adsorption between arsenate and phosphate on hematite facets using batch experiments, together with in-situ infrared spectroscopy, two-dimensional correlation spectroscopy (2D-COS), and ab initio molecular dynamic (AIMD) simulations. This study's findings revealed that hematite exhibited notable selectivity for arsenate over phosphate in both adsorption capacity and rate, with selectivity significantly influenced by the exposed facets of the hematite and reaction concentrations.
View Article and Find Full Text PDFWant AI Summaries of new PubMed Abstracts delivered to your In-box?
Enter search terms and have AI summaries delivered each week - change queries or unsubscribe any time!