Surface Oxidation Mechanism Research Articles

Exploring graphdiyne - Dynamic characterisation of the surface oxidation mechanisms via ReaxFF-MD and experiments

Graphdiyne (GDY) is an emerging two-dimensional carbon allotrope comprising unique sp1 and sp2 hybridisation, which has attracted extensive investigation into various applications, especially as battery component materials owing to its excellent electromechanical properties. However, GDY's thermal stability and oxidation behaviour have yet to be evaluated, which is crucial to safety in high-energy applications. The present study characterised the thermophysical properties of GDY via reactive molecular dynamics (MD-ReaxFF) and experimental measurement. The oxidation kinetics and decomposition behaviour were elucidated and benchmarked with graphene (GP) and graphyne (GY) to investigate the correlation between thermal stability and morphology of carbon nanomaterials. The simulation results revealed the initial oxidation mechanism of GDY sheets, where the cleavage of C–C bonds was observed at the acetylenic chain and could be identified as the weak spots of the structural stability. As for oxidation kinetics, GDY's experimental and numerical activation energy was found to be 173.1 and 133 kJ/mol, which is lower than 220.8 kJ/mol of GP. The current work pioneer investigated the thermal stability of GDY using both experimental and numerical approaches. Meanwhile, different oxidation mechanisms between GP and GDY were distinguished and demonstrated in detail.

Large eddy simulation of soot formation in a turbulent lifted flame with a discretized population balance and a reduced kinetic mechanism

This article presents simulations of a turbulent lifted flame using the large eddy simulation-transport probability density function-discretized population balance equation approach. This approach takes into account the interaction between turbulent reacting flow and soot particle formation. A reduced chemical kinetics mechanism including a series of polycyclic aromatic hydrocarbons (PAHs) species linked to soot formation is generated employing the approach of the directed relation graph error propagation and is tested on a perfectly stirred reactor under varying equivalent ratio conditions and premixed flames. The soot kinetics model includes the PAH-based nucleation and surface condensation, the hydrogen abstraction acetylene addition surface growth and oxidation mechanism, and the size-dependent aggregation. The soot morphology considers the surface area and other geometrical properties for both spherical primary particles and fractal aggregates. The simulation results show, in general, reasonably good agreement with experimental measurements in terms of lifted height, flame shape, flow-field velocity, the hydroxyl radical, and soot volume fraction. A discussion of micromixing and its modeling in the context of the Interaction by Exchange with the Mean model is also presented. To investigate the effect of the soot micromixing frequency factor on soot particles, an additional simulation is conducted where this factor is reduced by a factor of 10 for the soot particles. The maximum soot volume fraction is observed to increase slightly. However, compared with the impact of kinetics on soot modeling, this effect is a minor one.

Effects of oxidation‐induced aggregation structure transformation of aramid fiber on interfacial adhesion of epoxy resin

AbstractThe large‐scale pretreatment and efficient surface activation of aramid fibers (AFs) before composite fabrication remains a major challenge. In this study, we developed a heat treatment–induced surface modification method to change the reactive groups on AFs. Results indicated that the O/C ratio and the number of ester groups on the AFs as well as the surface morphology of the AFs could be flexibly controlled using the heat treatment–induced surface modification method. Furthermore, the surface oxidation mechanism of the AFs changed from point oxidation to surface oxidation during heat treatment. As the heat‐treatment time increased, the crystallinity and tensile strength of the AF monofilament considerably increased. An optimal heat‐treatment time of 30 min was provided considering that long‐time heating (>30 min) would destroy the surface molecular chains. Under this optimal heat‐treatment time, the number of ester groups reached the maximum, which enhanced the reactivity of the AFs in the epoxy resin matrix. The interfacial shear strength between the AFs treated for 30 min and epoxy resin microdroplet increased by 12.64%, reaching as high as 18.17 MPa. Moreover, the contact angle between the AF monofilament and epoxy resin droplet reached a minimum value of 54.7°. Furthermore, the thickness of the interfacial bond layer between the AFs and epoxy resin reached 50–60 nm. These results provide effective theoretical guidance for the large‐scale application of AFs in composite materials.

Atomistic oxidation mechanism of Bi0.5Sb1.5Te3 (0001) surface

Surface oxidation can potentially influence transport properties of thermoelectric materials and service performance of thermoelectric devices. Here, the oxidation mechanism of the (0001) surface of a widely used p-type TE material, Bi0.5Sb1.5Te3 (BST), was investigated using spherical aberration corrected scanning transmission electron microscopy (STEM). Combining atomic-resolution STEM and density function theory (DFT), it was revealed that oxidation occurs at room temperature in the dry air through O diffusion into the surface quintuple layer, facilitating formation of both cation and anion vacancies, weakening the Bi-Te and Sb-Te bonds, leading to oxidation product Sb2O3, amorphous Te, and Bi-rich BST. Formation of a thin O-rich cation-deficient quintuple layer on the surface and the Bi-rich BST region can significantly reduce the interfacial reaction between BST and Ni electrode, as the reaction layer thickness is reduced by 75% after the surface oxidation. This work provides essential structural information on surface oxidation mechanism and its influence on properties and performance of TE materials and devices.

An Electrochemical Study of the Effect of Sulfate on the Surface Oxidation of Pyrite.

Pyrite is one of the most abundant metal sulfide tailings and is susceptible to oxidation, yielding acidic mine drainage (AMD) that poses significant environmental risks. Consequently, the exploration of pyrite surface oxidation and the kinetic influencing factors remains a pivotal research area. Despite the oxidation of pyrite producing a significant amount of sulfate (SO42-), a comprehensive investigation into its influence on the oxidation process is lacking. Leveraging pyrite's semiconducting nature and the electrochemical intricacies of its surface oxidation, this study employs electrochemical techniques-cyclic voltammetry (CV), Tafel polarization, and electrochemical impedance spectroscopy (EIS)-to assess the effect of SO42⁻ on pyrite surface oxidation. The CV curve shows that SO42- does not change the fundamental surface oxidation mechanism of pyrite, but its redox peak current density decreases with the increase in SO42-, and the surface oxidation rate of pyrite decreases. The possible reason is attributed to SO42- adsorption onto pyrite surfaces, blocking active sites and impeding the oxidation process. Furthermore, Tafel polarization curves indicate an augmentation in polarization resistance with elevated SO42- concentrations, signifying heightened difficulty in pyrite surface reactions. EIS analysis underscores an increase in Weber diffusion resistance with increasing SO42⁻, indicating that the diffusion of Fe3+ to the pyrite surface and the diffusion of oxidized products to the solution becomes more difficult. These findings will improve our understanding of the influence of SO42- on pyrite oxidation and have important implications for deepening the understanding of surface oxidation of pyrite in the natural environment.

Effect of Ni substitution atom on electronic properties and surface oxidation of pyrrhotite

The crystal and surface electronic properties of minerals are fundamentally linked to their flotation behavior. To investigate the effects of Ni substitution for Fe in pyrrhotite on the crystal and surface properties, as well as its oxidation by O2, density functional theory (DFT) was employed to analyze these changes at a microscopic level in both monoclinic and hexagonal pyrrhotite. The findings reveal that Ni substitution increases electron activity in monoclinic pyrrhotite, enhancing its resistance to oxidation by O2, while also strengthening the interaction between Ni-substituted monoclinic pyrrhotite and butyl xanthate. Conversely, in hexagonal pyrrhotite, Ni substitution enhances electron stability but makes it more susceptible to oxidation by O2 and weakens its interaction with butyl xanthate. Understanding the electronic properties and interaction mechanisms of Ni-substituted pyrrhotite with O2 is crucial for elucidating the surface oxidation mechanisms of pyrrhotite. This research offers insights and guidance for optimizing pyrrhotite flotation processes.

Copper foil microforming through underwater laser oblique impact

Laser-induced cavitation impact forming is a high-speed forming process that employs a high-energy laser to produce cavitation in a liquid and act on the workpiece. When the laser is irradiated vertically to the workpiece surface through the guide hole, oxidation occurs on the produced workpiece's surface, affecting the surface quality. Laser-induced cavitation oblique impact workpiece formation is proposed in this paper. The surface quality of the workpiece created at various angles is investigated by adjusting the angle between the laser and the guide hole. A finite element model (FEM) was employed to simulate the temperature change and collapse speed of laser-induced cavitation, and a hydrophone was utilized to measure the impact pressure of laser-induced cavitation under various guide holes. The variations in forming depth and surface quality of the workpiece caused by laser-induced cavitation oblique impact were investigated experimentally. The experimental results show that as the angle between the laser and the guide hole increases from 0° to 90°, the width of the oxidized area on the surface of the formed micro-groove decreases from 513 μm to 0 μm, the forming depth of the micro-groove decreases from 80 μm to 20 μm, and the surface roughness of formed parts decreases from 2.93 μm to 0.56 μm. The oxidation of the formed workpiece surface during the oblique laser impact is primarily caused by the laser irradiation, according to the analysis of the surface oxidation mechanism of the formed micro-grooves. When the angle between the laser and the guide hole is 60°, all of the heat emitted by the laser is focused to the guide hole's inner surface. The angle between the laser and the pilot hole was set to 60° in the experiment, and the micro-groove structure was generated by three impacts, with the thickness distribution of the formed groove investigated. The results demonstrate that the largest thinning of the micro-groove cross-section occurs at the mold's entry and the bottom of the micro-groove, with thinning rates of 20 % and 15 %, respectively.

Influence mechanism of lithium surface oxidation on neutron yield of lithium target for accelerator-based neutron source

Lithium is generally adopted as the target to generate epithermal neutrons based on 7Li(p,n)7Be nuclear reaction for the application of accelerator-based boron neutron capture therapy (AB-BNCT). The stability of neutron yields and neutron energy spectrum are key factors for the therapeutic effects of the AB-BNCT. Owing to the active chemical properties of lithium, the surface oxidation formation of lithium may influence the soundness of the target system and the stability of neutron yields. Experimental and simulation methods were performed for a better understanding of the passivation layer formation after air exposure and the influence of the passivation layer on the neutron yield and energy spectrum. On one hand, X-ray photoelectron spectroscopy was adopted to study the chemical states of lithium after air exposure. On the other hand, particle and heavy ion transport code system (PHITS) was used to evaluate the effect of surface chemical states variation on neutron yield and energy spectrum. The simulation results indicate that the formation of Li2O with a thickness of 2 μm could mainly influence the neutron yields at the neutron emission angle of 20–90° with a maximum reduction of ∼ 10.4%.

Development of Supercapacitors with 3D Porous Structures

AbstractThe pursuit of supercapacitors with simultaneous high power and energy densities has led to extensive research and successful outcomes through the integration of three‐dimensional (3D) electrodes, encompassing both 3D active materials and 3D porous current collectors. This mini review provides a summary of recent developments in supercapacitors featuring 3D structures. The incorporation of both 3D active materials and 3D current collectors proves effective in enhancing the mass loading of active materials without compromising their specific capacitance. The presence of pores in 3D porous current collectors contributes to additional double‐layer capacitance by offering a large surface area. Moreover, 3D porous transition metal current collectors can provide both double‐layer and faradic capacitances through the in‐situ surface oxidation mechanism. Beyond materials and geometries, this review also discusses synthesis strategies for electrodes, offering insights into the process‐structure‐property relationship crucial for supercapacitors. By combining 3D active materials with 3D current collectors, the energy density of supercapacitors could be substantially improved.

Probing Oxidation-Driven Amorphized Surfaces in a Ta(110) Film for Superconducting Qubit.

Recent advances in superconducting qubit technology have led to significant progress in quantum computing, but the challenge of achieving a long coherence time remains. Despite the excellent lifetime performance that tantalum (Ta) based qubits have demonstrated to date, the majority of superconducting qubit systems, including Ta-based qubits, are generally believed to have uncontrolled surface oxidation as the primary source of the two-level system loss in two-dimensional transmon qubits. Therefore, atomic-scale insight into the surface oxidation process is needed to make progress toward a practical quantum processor. In this study, the surface oxidation mechanism of native Ta films and its potential impact on the lifetime of superconducting qubits were investigated using advanced scanning transmission electron microscopy (STEM) techniques combined with density functional theory calculations. The results suggest an atomistic model of the oxidized Ta(110) surface, showing that oxygen atoms tend to penetrate the Ta surface and accumulate between the two outermost Ta atomic planes; oxygen accumulation at the level exceeding a 1:1 O/Ta ratio drives disordering and, eventually, the formation of an amorphous Ta2O5 phase. In addition, we discuss how the formation of a noninsulating ordered TaO1-δ (δ < 0.1) suboxide layer could further contribute to the losses of superconducting qubits. Subsurface oxidation leads to charge redistribution and electric polarization, potentially causing quasiparticle loss and decreased current-carrying capacity, thus affecting superconducting qubit coherence. The findings enhance the comprehension of the realistic factors that might influence the performance of superconducting qubits, thus providing valuable guidance for the development of future quantum computing hardware.

Hydrogen peroxide electrosynthesis with nickel foam electrodes: influence mechanism of surface oxidation

AbstractBACKGROUNDNickel foam (NF) is widely used as battery electrode matrix and electrochemical process cathode. However, the surface of NF is prone to oxidation, which may affect its ability to reduce oxygen and produce H2O2, but the influence mechanism is still unclear. In this paper, surface oxidation of the NF was regulated by pickling and drying pretreatment, and the surface oxides were characterized by X‐ray photoelectron spectroscopy (XPS) and energy dispersive X‐ray spectrometry (EDS). The NF was used as the substrate, graphite powder as the catalyst, and PTFE as the binder to prepare graphite‐coated NF composite electrodes. The effect of NF surface oxidation on their ability to generate H2O2 was investigated.RESULTSThe results demonstrated that after pickling and drying, the NF surface generated a large amount of NiO, which increased the charge transfer resistance of the NF by 20.3%, and accelerated further reduction decomposition of H2O2. The rotating ring‐disk electrode (RRDE) tests further confirmed that NiO can reduce the two‐electron oxygen reaction selectivity, which was detrimental to H2O2 electrosynthesis. The graphite‐coated NF composite electrode with pristine NF as the substrate can produce 869.1 mg L−1 of H2O2 and maintain relatively good reusability.CONCLUSIONOverall, the surface oxidation of NF is not conducive to H2O2 electrosynthesis, and it is necessary to prevent oxidation during electrode preparation. This study provides a valuable reference for the preparation of NF electrodes and can promote the further study of in situ H2O2 electrosynthesis. © 2023 Society of Chemical Industry (SCI).

Applying the carbon vacancy-enhanced catalyst as the surface reactor for peroxymonosulfate activation and efficient Acetaminophen degradation: Performance and mechanism

Introducing carbon vacancies (Vc) is an efficient strategy that can improve the catalytic activity of carbon materials. However, the understanding in the efficacy and mechanism of Vc in peroxymonosulfate (PMS) adsorption and activation to degrade pollutants was inexplicit. Herein, Vc was introduced into the catalyst (PB-Mn-X) via etching and heat treatment for Prussian blue, and four PB-Mn-Xs with different Vc contents were used to investigate the performance and mechanism. As a result, PB-Mn-X had excellent catalytic performance and good cycling stability, removing 93.7% Acetaminophen (APAP) within 10 min and being almost independent of pH value. Quenching results and electron paramagnetic resonance (EPR) technology confirmed that PB-Mn-X/PMS system was a surface oxidation mechanism with four reactive oxygen species (SO4•–, •OH, O2•–, and 1O2). The presence of Vc enhanced the PMS adsorption, thus building an electron-deficient surface on material. APAP with electron-rich groups was easy adsorbed on such a surface, which boosted the efficiently and rapidly APAP degradation. In addition, the actual application performance of PB-Mn-X/PMS system was also assessed. This work provides favorable insights to advance the research on the catalytic efficiency and mechanism of Vc on activated PMS.

Effect of preoxidation on copper flotation from copper-lead mixed concentrate

Flotation separation of galena and chalcopyrite is always a difficult problem in mineral processing. In this paper, the selective preoxidation of galena and chalcopyrite with sulfuric acid was developed, and then the two minerals were completely separated by flotation. The surface oxidation mechanism of galena and chalcopyrite with sulfuric acid was analyzed by Fourier transform infrared spectroscopy (FT-IR) and Atomic Force Microscopy (AFM), and the results showed that hydrophilic oxide film was formed on the galena surface, while the surface of chalcopyrite is still hydrophobic sulfide film, which led to the separation of the two minerals by flotation. In addition, the Response Surface Methodology (RSM) was used to analyze the influence of main preoxidation parameters on the flotation separation of copper-lead concentrate, and the parameters were further optimized, as follows: sulfuric acid concentration of 5.3 mol/L, oxidation temperature of 101.8 °C and time of 48.3 min. The mixed concentrate containing Cu 11.57% and Pb 16.75% was preoxidized under the above conditions, and the flotation separation verification results showed that Cu concentrate with Cu grade of 18.09% and recovery of 95.41%, and Pb concentrate with Pb grade of 44.96% and recovery of 95.94% was obtained respectively. This paper provides a new method of preoxidation combined flotation to achieve high-efficiency separation of copper-lead mixed concentrate.

Development of “Tunable” Gallium Nitride (GaN) Chemical Mechanical Planarization (CMP) Slurry Formulations

Wide band gap (WBG) semiconductors have become of great interest in order to extend Moore’s Law beyond the limitations of current Si IC technology. WBG material, more specifically gallium nitride (GaN), is known to operate at greater switching speeds, temperatures, and frequencies leading to enhanced processing performance. However, as a result of its chemical properties, GaN is chemically inert impeding the ability to effectively planarize the surface at low chemical mechanical planarization (CMP) processing time and with minimized defectivity. It is widely reported that material removal on the Ga-face of the substrate is highly dependent on the oxidation of the surface to form Ga2O3. This work will focus on exploiting the surface oxidation mechanism of GaN in a low-shear force environment. By modulating the slurry composition (i.e., nanoparticle, oxidizer, redox-active additives), the factors that drive removal rate can be further understood in order to develop an optimized slurry-substrate environment that will promote greater material removal. To evaluate the reactions at the slurry-substrate interface and probe at the removal rate mechanism, a suite of dynamic analytical techniques (i.e., atomic force microscope, scanning electron microscope, profilometer, contact angle, zeta potential, and particle size) will be utilized.

3D hierarchically structured Ce1-xGdxO2-x/2 mixed oxide particles: the role of microstructure, porosity and multi-level architecture stability in soot and propane oxidation.

In this paper, synoptic description of the hierarchical architecture of mixed ceria particles and its function in catalytic propane and soot oxidation has been presented. The influence of temperature and dopant concentration on the micro- to macroscale structure of the star-shaped particles has been thoroughly investigated by various physicochemical techniques. Two temperature-dependent growth modes of ceria nanoparticles has been observed and their dopant-dependent influence on mesocrystal architecture have been described. It appeared that presence of dopant changes the pattern of nanoparticles intergrowth which ultimately introduces additional porosity into 3D hierarchically structured material (rav =19 nm). Furthermore, emergent phenomenon in catalytic propane oxidation was observed. The substantial increase of propane conversion via low-temperature surface oxidation mechanism was ascribed to nanocrystallites mesoscale organization forming porous hierarchical material. No such conversion was present for a comparative sample of non-organized ceria nanoparticles. Also, increased stability of such architecture was demonstrated in soot combustion tests.

Monitoring the gradual change in oxidation state during surface oxidation or reduction of uranium oxides by photoemission spectroscopy of the 5f states

Photoelectron spectroscopy study of the U5f emission gives valuable insight into the surface oxidation mechanism of uranium oxides. Its intensity is directly related to the electron count nf, which decreases with increasing oxidation number (U(IV): nf=2; U(V): nf=1; U(VI): nf=0). n5f can be quantified by analysing the U5f/U4f intensity ratio and using a standard of known composition. In addition, the 5f emission has a characteristic multiplet shape, directly related to n5f, which can be used to distinguish the 5f2 and 5f1 configuration of U(IV) and U(V), respectively. Three independent methods are used to determine the surface oxidation state: the U5f/U4f intensity ratio, the relative intensities of the U4f oxide shifted peaks, and the O1s/U4f intensity ratio. The first two reveal the concentration of the U in each oxide, the third indicates the total concentration of oxygen. These methods are applied to follow the surface modification of UO2 films when exposed to various oxidative conditions: molecular and atomic oxygen and water plasma at 400°C. In addition, the reduction of UO3 by atomic H is studied. Molecular oxygen oxidizes UO2 to UO2+x(x = 0.22), containing both U(IV) and U(V). Atomic oxygen also oxidizes U(IV) to U(V) at low dosages, but then continues oxidizing U(V) to U(VI) (UO3) at high dosages. Conversely, atomic hydrogen reduces UO3. In the early phase of reduction U(V) forms exclusively – no U(IV) is observed. Water plasma first transforms almost all UO2 (surface and subsurface) into U(V). With further plasma exposure the surface is oxidized to about 80% U(VI) and 20% U(V). Up to this point, a small fraction of U(IV) remains at the surface. Once it disappears, the surface oxidation stops and further water plasma exposure now leads to surface reduction into U(V) (the 5f1 peak increases again). Despite the reduction at high dosage, the O1s/U4f intensity ratio keeps increasing.

Oxygen atom ordering on SiO2/4H-SiC {0001} polar interfaces formed by wet oxidation

In the processing of 4H-SiC MOSFET devices, it is crucial to optimize the condition of wet oxidation based on the wafer surface orientation to obtain excellent electronic properties. However, the mechanism of surface oxidation and the effect of surface polarity remain unclear. The atomic structures of SiO2/4H-SiC (0001) [Si-face] and (0001¯) [C-face] interfaces can be analyzed by aberration-corrected STEM and first-principles MD calculations. On the Si-face, interfacial O atoms on the amorphous SiO2 layer show clear atomic ordering with a rigid O-Si bridge structure across the SiO2/4H-SiC interface, involving a slow oxidation rate. The C-face can be rapidly oxidized, resulting in dangling bonds, bond bending, rough interface, and residual carbon in the SiO2. A key feature is the formation of a stable and flat oxidation front by O atom ordering and then the suppression of interface defects or residual C, which provides an approach for designing high-performance 4H-SiC MOSFET devices.

Preparation, properties and application of cerium(III) methanesulfonate

Based on the results of physicochemical analysis, IR-spectroscopy, derivatographic analysis and differential scanning calorimetry, it was established that the interaction of cerium(III) carbonate with methanesulfonic acid yields cerium(III) methanesulfonate Се(SO3CH3)34H2O. Thermolysis of complex compound Се(SO3CH3)34H2O proceeds via a complex chemical mechanism and is completed at the temperature of 540–5500C producing nanocrystalline powders of cerium(IV) oxide having cubic structure with primary particle sizes of 20–30 nm, aggregate sizes of 50–200 nm and specific surface area of 62–68 m2 g–1. A probable mechanism of thermal decomposition of cerium(III) methanesulfonate is proposed, which depends on the temperature conditions of the thermal decomposition process. At low temperatures, the thermolysis of Се(SO3CH3)34H2O proceeds by the mechanism of surface oxidation with the formation of cerium oxide. At temperatures above 4500C, thermolysis is transformed into combustion with a significant heat effect and the formation of nanosized powders of cerium(IV) oxide of the corresponding morphological structure. It was found that the solutions of cerium(III) methanesulfonate show antiviral activity in vitro.

Fe2GeS4 (010) surface oxidation mechanism and potential application of the oxidized surface in gas sensing: A first-principles study

Herein, we studied Fe2GeS4 (010) surface oxidation and its potential application in gas sensing by spin-polarized DFT+U calculations. Firstly, calculation results show that bulk Fe2GeS4 and its clean (010) surface are semiconductor and antiferromagnetic. Then calculations about interaction between O2 molecules and Fe2GeS4 (010) surface reveal that the first fifth O2 tend to dissociate and incorporate into the surface until an amorphous oxide form. The oxidized Fe2GeS4 (010) surface has decreased band gap of 0.88 eV for spin-up state and 0.32 eV for spin-down state. Finally, we investigated the adsorption behaviors of eight gas molecules (CH4, CO, CO2, NO, NO2, H2S, SO2, HCHO) towards oxidized Fe2GeS4 (010) surface. Physical adsorptions of CH4, CO, CO2 and H2S on the surface are predicted. Whereas NO, NO2, SO2 and HCHO anchor on the surface in chemical adsorption state. However, HCHO adsorption had almost no contribution to the electronic properties of the oxidized Fe2GeS4 (010) surface. While electronic properties of the surface could be effectively changed by NO, NO2 and SO2. These results indicate that the oxidized Fe2GeS4 (010) surface are more sensitive to NO, NO2 and SO2, which would facilitate the potential application of oxidized Fe2GeS4 (010) surface in NO, NO2 and SO2 gas sensing.

Antioxidant and hydrophobic Cotton fabric resisting accelerated ageing

Antioxidant fabrics are excellent shields against oxidative damage by free radicals and can be used in clothing, packaging, cosmetics and preservation. In this study, we developed antioxidant and hydrophobic cotton fabrics using ecofriendly materials and processes. The fabrics were functionalized with a double layer coating. Pristine cotton fabrics were coated with a food grade antioxidant (butylated hydroxytoluene, BHT) incorporated biodegradable polyester (polycaprolactone, PCL). This coating was shielded with an acetoxy functional biocompatible hydrophobic silicone coating. The hydrophobic shielding prevented potential loss of the antioxidant due to interaction with water or ambient humidity over time. Coated fabrics were exposed to extreme peroxidative (concentrated H2O2) and UV light damage conditions using an ad hoc protocol for simulating decades of atmospheric ageing. Chemical changes on the cotton surface and potential oxidation and preventive mechanisms were studied using spectroscopy. Treated fabrics also displayed very low water vapor uptake and remained breathable with no visible color change. Mechanical properties of the original fabric were preserved after the treatment.