Large Organic Molecules Research Articles

Extending GPU-accelerated Gaussian integrals in the TeraChem software package to f type orbitals: Implementation and applications.

The increasing availability of graphics processing units (GPUs) for scientific computing has prompted interest in accelerating quantum chemical calculations through their use. However, the complexity of integral kernels for high angular momentum basis functions often limits the utility of GPU implementations with large basis sets or for metal containing systems. In this work, we report the implementation of f function support in the GPU-accelerated TeraChem software package through the development of efficient kernels for the evaluation of Hamiltonian integrals. The high efficiency of the resulting code is demonstrated through density functional theory (DFT) calculations on increasingly large organic molecules and transition metal complexes, as well as coupled cluster singles and doubles calculations on water clusters. Preliminary investigations into Ni(I) catalysis with DFT and the photochemistry of MnH(CH3) with complete active space self-consistent field are also carried out. Overall, our GPU-accelerated software appears to be well-suited for fast simulation of large transition metal containing systems, as well as organic molecules.

Synthesis and Stability of Biomolecules in C-H-O-N Fluids under Earth's Upper Mantle Conditions.

How life started on Earth is an unsolved mystery. There are various hypotheses for the location ranging from outer space to the seafloor, subseafloor, or potentially deeper. Here, we applied extensive ab initio molecular dynamics simulations to study chemical reactions between NH3, H2O, H2, and CO at pressures (P) and temperatures (T) approximating the conditions of Earth's upper mantle (i.e., 10-13 GPa, 1000-1400 K). Contrary to the previous assumptions that large organic molecules might readily disintegrate in aqueous solutions at extreme P-T conditions, we found that many organic compounds formed without any catalysts and persisted in C-H-O-N fluids under these extreme conditions, including glycine, ribose, urea, and uracil-like molecules. Particularly, our free-energy calculations showed that the C-N bond is thermodynamically stable at 10 GPa and 1400 K. Moreover, while the pyranose (six-membered ring) form of ribose is more stable than the furanose (five-membered ring) form at ambient conditions, we found that the formation of the five-membered-ring form of ribose is thermodynamically more favored at extreme conditions, which is consistent with the exclusive incorporation of β-d-ribofuranose in RNA. We have uncovered a previously unexplored pathway through which the crucial biomolecules could be abiotically synthesized from geofluids in the deep interior of Earth and other planets, and these formed biomolecules could potentially contribute to the early stage of the emergence of life.

Stable Au(111) Hexagonal Reconstruction Induced by Perchlorinated Nanographene Molecules.

Surface reconstructions play a crucial role in surface science because of their influence on the adsorption and arrangement of molecules or nanoparticles. On the Au(111) surface, the herringbone reconstruction presents favorable anchoring at the elbow sites, where the highest reactivity is found. In this work, we deposited large organic perchlorinated molecules on a Au(111) surface via high-vacuum electrospray deposition. With noncontact atomic force microscopy measurements at room temperature, we studied the molecular structures formed on the surface before and after annealing at different temperatures. We found that a supramolecular layer is formed and that a hexagonal reconstruction of the Au(111) surface is induced. After high-temperature annealing, the molecules are removed, but the hexagonal Au(111) surface reconstruction is preserved. With the hexagonal Au(111) surface reconstruction, a periodic lattice of anchoring sites is formed.

Polymorphism of pyrene on compression to 35 GPa in a diamond anvil cell

Structural studies of pyrene have been limited to below 2 GPa. Here, we report on investigations of pyrene up to ~35 GPa using in situ single-crystal synchrotron X-ray diffraction in diamond anvil cells and ab initio calculations. They reveal the phase transitions from pyrene-I to pyrene-II (0.7 GPa), and to the previously unreported pyrene-IV (2.7 GPa), and pyrene-V (7.3 GPa). The structure and bonding analysis shows that gradual compression results in continuous compaction of molecular packing, eventually leading to curvature of molecules, which has never been observed before. Large organic molecules exhibit unexpectedly high conformational flexibility preserving pyrene-V up to 35 GPa. Ab initio calculations suggest that the phases we found are thermodynamically metastable compared to pyrene-III previously reported at 0.3 and 0.5 GPa. Our study contributes to the fundamental understanding of the polymorphism of polycyclic aromatic hydrocarbons and calls for further theoretical exploration of their structure–property relationships.

Learning together: Towards foundation models for machine learning interatomic potentials with meta-learning

The development of machine learning models has led to an abundance of datasets containing quantum mechanical (QM) calculations for molecular and material systems. However, traditional training methods for machine learning models are unable to leverage the plethora of data available as they require that each dataset be generated using the same QM method. Taking machine learning interatomic potentials (MLIPs) as an example, we show that meta-learning techniques, a recent advancement from the machine learning community, can be used to fit multiple levels of QM theory in the same training process. Meta-learning changes the training procedure to learn a representation that can be easily re-trained to new tasks with small amounts of data. We then demonstrate that meta-learning enables simultaneously training to multiple large organic molecule datasets. As a proof of concept, we examine the performance of a MLIP refit to a small drug-like molecule and show that pre-training potentials to multiple levels of theory with meta-learning improves performance. This difference in performance can be seen both in the reduced error and in the improved smoothness of the potential energy surface produced. We therefore show that meta-learning can utilize existing datasets with inconsistent QM levels of theory to produce models that are better at specializing to new datasets. This opens new routes for creating pre-trained, foundation models for interatomic potentials.

Producing Gel With Various Ingredients: a Review

<p><strong>Abstract.</strong> Unhealthy fat choices in diets are linked to obesity and other health problems. The food industry faces a challenge to develop low-fat products that maintain desirable textures and functionalities. Food gels, semi-solid materials formed by small molecules or large organic molecules that can hold liquids, offer a promising approach for replacing fat in various food applications like yogurt, ice cream, and cheese. This review discusses recent research on: Types of biopolymers used for fat substitution in gels, including proteins, polysaccharides, and their combinations. The importance of rheological studies in understanding the characteristics of these fat-substituted gels. How manipulating rheological parameters can influence the texture and properties of food products.</p><p><strong>Keywords:</strong> </p><p align="left">Gel, Rheology, Fat, Protein, Polysaccharide</p>

Spatial Distribution of C4H and c-C3H2 in Cold Molecular Cores

C4H and c-C3H2, as unsaturated hydrocarbon molecules, are important for forming large organic molecules in the interstellar medium. We present mapping observations of C4H (N = 9−8) lines, c-C3H2 (J Ka,Kb = 21,2–10,1), and H13CO+ (J = 1−0) toward 19 nearby cold molecular cores in the Milky Way with the IRAM 30 m telescope. C4H 9–8 was detected in 13 sources, while c-C3H2 was detected in 18 sources. The widely existing C4H and c-C3H2 molecules in cold cores provide material to form large organic molecules. Different spatial distributions between C4H 9–8 and c-C3H2 2–1 were found. The relative abundances of these three molecules were obtained under the assumption of local thermodynamic equilibrium conditions with a fixed excitation temperature. The abundance ratio of C4H to c-C3H2 ranged from 0.34 ± 0.09 in G032.93+02 to 4.65 ± 0.50 in G008.67+22. A weak correlation between C4H/H13CO+ and c-C3H2/H13CO+ abundance ratios was found, with a correlation coefficient of 0.46, which indicates that there is no tight astrochemical connection between C4H and c-C3H2 molecules.

Efficient H2O2 Production and Activation by Air Diffusion Cathode Combined with Ultraviolet for Lake Water Treatment: A Long-Term Evaluation

This study utilizes a natural air diffusion cathode (ADC) and an ultraviolet lamp to construct a UV/H2O2 reactor for the in situ synthesis and activation of H2O2 and evaluates its potential application in practical lake water treatment. The results indicate that the reactor exhibits stable treatment performance during a continuous flow experiment of 80 h. The air diffusion cathode maintains an H2O2 concentration of above 350 mg·L−1 in sodium sulfate electrolyte and shows no decreasing trend. Under the condition of approximately 59% H2O2 utilization, the removal rates of COD and TOC are 37.6% and 40.0%, respectively; the rate of reduction of A254 is 64.3%; while the total bacterial count removal rate reaches 100%. Large organic molecules in surface water are degraded to small organic molecules and mineralized to inorganic minor molecules. It effectively ameliorates the problem of organic pollution of surface water and effectively kills bacteria and improves the microbiological safety of the water body. Therefore, the UV/H2O2 system developed in this study, based on electrochemically produced H2O2, is an effective method for treating micro-polluted surface water.

Spin-Restricted Descriptions of Singlet Oxygen Reactions from XMS-CASPT2 Benchmarks.

Reactions of singlet oxygen are numerous, some of which are desired but many are unwanted. Therefore, the ability to correctly predict and interpret this reactivity for complex molecular systems is essential to our understanding of singlet oxygen reactions. DFT is widely used for predicting many reactions but is not suited to degenerate electronic structures; application to isolated singlet oxygen often uses the spin-unrestricted formalism, which results in severe spin contamination. In this work, we demonstrate that spin-restricted DFT can correctly describe the reaction pathway for four prototypical singlet oxygen reactions. By careful benchmarking with XMS-CASPT2, we show that, from the first transition state onward, the degeneracy of the 1Δg state is broken due to differing interactions of the (degenerate) π* orbitals with the organic substrate; this result is well replicated with DFT. These findings demonstrate the utility of using spin-restricted DFT to explore reactions, opening the way to confidently use this computationally efficient method for molecular systems of medium to large organic molecules.

Transformation of metoprolol in UV/PDS process: Role and mechanisms of degradation and polymerization

Advanced oxidation processes for the treatment of organic pollutants in wastewater suffer from difficulties in mineralization, potential risks of dissolved residues, and high oxidant consumption. In this study, radical-initiated polymerization is dominated in an UV/peroxydisulfate (PDS) process to eliminate organic pollutant of pharmaceutical metoprolol (MTP). Compared with an ideal degradation-based UV/PDS process, the present process can save four fifths of PDS consumption at the same dissolved organic carbon removal of 47.3%. Simultaneously, organic carbon can be recovered from aqueous solution by separating solid polymers at a ratio of 50% of the initial chemical oxygen demand. The chemical structure of products was analyzed to infer the transformation pathways of MTP. Unlike previous studies on simple organic pollutants that the polymerization can occur independently, the polymerization of MTP is dependent on the partial degradation of MTP, and the main monomer in polymerization is a dominant degradation product (4-(2-methoxyethyl)-phenol, denoted as DP151). The separated solid polymers are formed by repeated oxidation and coupling of DP151 or its derivatives through a series of intermediate oligomers. This proof-of-concept study demonstrates the advantage of polymerization-dominated mechanism on dealing with large organic molecules with complex structures, as well as the potential of UV/PDS process for simultaneous organic pollution reduction and organic carbon recovery from aqueous solution.

Study on the effect and regularity of plating parts cleaning wastewater by enhanced aerobic process with high-density bacterial flora

In this research, we established an enhanced aerobic biological method utilizing a high-density bacterial flora for the treatment of low-biochemical plating parts washing wastewater. The elucidation of pollutant removal mechanisms was achieved through a comprehensive analysis of changes in sludge characteristics and bacterial community structure. The results demonstrated that throughout the operational period, the organic load remained stable within the range of 0.01–0.02 kgCOD/kgMLSS·d, the BOD5/COD ratio increased from 0.004 mg/L to 0.33 mg/L, and the average removal rates for key pollutants, including COD, NH4+-N, and TN, reached 98.13%, 99.86%, and 98.09%. MLSS concentration remained at 7627 mg/L, indicating a high-density flora. Notably, Proteobacteria, Bacteroidota, and Acidobacteriota, which have the ability to degrade large organic molecules, had been found in the system. This study affirms the efficacy of the intensive aerobic biological method for treating low-biochemical plating washing wastewater while ensuring system stability.

Large Organic Polar Molecules Tailored Electrode Interfaces for Stable Lithium Metal Battery.

Lithium (Li) metal batteries (LMBs) are deemed as ones of the most promising energy storage devices for next electrification applications. However, the uneven Li electroplating process caused by the diffusion-limited Li+ transportation at the Li metal surface inherently promotes the formation of dendritic morphology and instable Li interphase, while the sluggish Li+ transfer kinetic can also cause lithiation-induced stress on the cathode materials suffering from serious structural stability. Herein, a novel electrolyte designing strategy is proposed to accelerate the Li+ transfer by introducing a trace of large organic polar molecules of lithium phytate (LP) without significantly altering the electrolyte structure. The LP molecules can afford a competitive solvent attraction mechanism against the solvated Li+, enhancing both the bulk and interfacial Li+ transfer kinetic, and creating better anode/cathode interfaces to suppress the side reactions, resulting in much improved cycling efficiency of LMBs. Using LP-based electrolyte, the performance of LMB pouch cell with a practical capacity of ~1.5 Ah can be improved greatly. This strategy opens up a novel electrolyte designing route for reliable LMBs.

Large Organic Polar Molecules Tailored Electrode Interfaces for Stable Lithium Metal Battery

AbstractLithium (Li) metal batteries (LMBs) are deemed as ones of the most promising energy storage devices for next electrification applications. However, the uneven Li electroplating process caused by the diffusion‐limited Li+ transportation at the Li metal surface inherently promotes the formation of dendritic morphology and instable Li interphase, while the sluggish Li+ transfer kinetic can also cause lithiation‐induced stress on the cathode materials suffering from serious structural stability. Herein, a novel electrolyte designing strategy is proposed to accelerate the Li+ transfer by introducing a trace of large organic polar molecules of lithium phytate (LP) without significantly altering the electrolyte structure. The LP molecules can afford a competitive solvent attraction mechanism against the solvated Li+, enhancing both the bulk and interfacial Li+ transfer kinetic, and creating better anode/cathode interfaces to suppress the side reactions, resulting in much improved cycling efficiency of LMBs. Using LP‐based electrolyte, the performance of LMB pouch cell with a practical capacity of ~1.5 Ah can be improved greatly. This strategy opens up a novel electrolyte designing route for reliable LMBs.

Transformation and degradation processes of dissolved organic matter in shale oil fracturing flowback water: Implications for environmental management

Shale oil extraction yields shale oil fracturing flowback water (SOFFW) rich in recalcitrant soluble organic compounds, the mismanagement of which can cause ecological harm. The current lack of research on dissolved organic matter (DOM) in SOFFW hampers the informed selection and optimization of oxidative methodologies. This study employed diverse characterizations to investigate the degradation and transformation mechanisms of DOM in SOFFW during Fenton oxidation. It identified three primary components in SOFFW, predominantly humic-like substances, the intensity of which was considerably reduced through oxidation. 2D-COS-FTIR analysis revealed that during oxidation, phenolic organic compounds showed preferential reactivity, followed by compounds containing double bonds and, finally, aliphatic compounds. Fenton oxidation effectively degraded highly unsaturated phenolics and polycyclic aromatic hydrocarbons, simultaneously generating an abundance of aliphatic and oxygen-poor unsaturated phenolic compounds. Through carboxylation, demethylation, and hydrogenation reactions, the proportion of large organic molecules (400–700 Da) decreased, leading to the formation of smaller molecules in the 200–400 Da range. Our findings demonstrate that hydroxyl radicals in the Fenton oxidation process react rapidly with electron-rich compounds, such as highly oxygenated unsaturated phenolics, while showing lower reactivity toward aliphatic substances. These findings substantially contribute to the efficient treatment of SOFFW and offer valuable insights for practical applications.

Which molecules can challenge density-functional tight-binding methods in evaluating the energies of conformers? investigation with machine-learning toolset

Large organic molecules and biomolecules can adopt multiple conformations, with the occurrences determined by their relative energies. Identifying the energetically most favorable conformations is crucial, especially when interpreting spectroscopic experiments conducted under cryogenic conditions. When the effects of irregular surrounding medium, such as noble gas matrices, on the vibrational properties of molecules become important, semi-empirical (SE) quantum-chemical methods are often employed for computational simulations. Although SE methods are computationally more efficient than first-principle quantum-chemical methods, they can be inaccurate in determining the energies of conformers in some molecules while displaying good accuracy in others. In this study, we employ a combination of advanced machine learning techniques, such as graph neural networks, to identify molecules with the highest errors in the relative energies of conformers computed by the semi-empirical tight-binding method GFN1-xTB. The performance of three different machine learning models is assessed by comparing their predicted errors with the actual errors in conformer energies obtained via the GFN1-xTB method. We further applied the ensemble machine-learning model to a larger collection of molecules from the ChEMBL database and identified a set of molecules as being challenging for the GFN1-xTB method. These molecules hold potential for further improvement of the GFN1-xTB method, showcasing the capability of machine learning models in identifying molecules that can challenge its physical model.

2D Conjugated Metal-Organic Frameworks: Defined Synthesis and Tailor-Made Functions.

Conspectus2D conjugated metal-organic frameworks (2D -MOFs) have emerged as a class of graphene-like materials with fully π-conjugated aromatic structures. Their unique structural characteristics provide abundant physiochemical features, including regular nanochannels, high electrical conductivity, and customizable band gaps. Recent intensive research has significantly advanced this field, yet the exploration of 2D c-MOFs with enhanced features is limited by the availability of organic linkages and topologies. Designing novel ligands is essential for the construction of new 2D c-MOFs with high crystallinity, excellent conductivity, and tailor-made functions.In this Account, we summarize our recent contributions in fine-tuning the topology of 2D c-MOFs through precise ligand design, thereby giving them fantastic structures and tailor-made functions. First, we propose the concept of replacing planar ligands by nonplanar ligands on conductive MOF skeletons. The incorporation of nonplanar ligands improves the solubility of large π-conjugated organic molecules without interfering with the interlayer π-stacking. Our investigation discovered that conjugate polycyclic aromatics-based ligands can be synthesized through in situ Scholl reactions by means of oxidative cyclodehydrogenation of a nonplanar precursor ligand during the solvothermal synthesis process. Hence, fully conjugated 2D c-MOFs can be directly synthesized from nonplanar organic ligands, simplifying and diversifying the preparation of 2D c-MOFs. Accordingly, the design flexibility of the ligands expands the topological structures and pore types. By controlling the synthesis conditions, we can successfully induce either a rhombus or a kagome topology from a nonplanar D2 symmetric ligand. Moreover, by employing a ligand engineering strategy, we incrementally increase the number of coordination functional groups on a twisted hexabenzocoronene core, resulting in the formation of three distinct symmetric hydroxyl ligands. These ligands elicit diverse target topologies and pore sizes, resulting in variances in the coordination node density on the skeletons. This, in turn, leads to differences in electron transfer abilities, ultimately causing variations in the electrical conductivity and mobility. In addition, we employ a straightforward coupling method to incorporate redox components, such as salphen and pyrazine, into nonplanar ligands, facilitating the synthesis of 2D c-MOFs with highly active centers. This strategy confers upon the resulting frameworks substantial capacity for catalysis and energy storage, offering a good platform for elucidating the structure-property relationships at the molecular level. Moreover, the well-defined synthesis of 2D c-MOFs imparts them with specific properties, particularly in the fields of electrical, electrochemical, and spintronic applications. At the end, the primary challenges facing 2D c-MOFs in achieving tailor functions and their practical applications are proposed. This account is expected to evoke new inspirations and innovative research in the field of 2D c-MOFs, especially in emerging interdisciplinary research areas.

Single-molecular diffusivity and long jumps of large organic molecules: CoPc on Ag(100).

Energy dissipation and the transfer rate of adsorbed molecules do not only determine the rates of chemical reactions but are also a key factor that often dictates the growth of organic thin films. Here, we present a study of the surface dynamical motion of cobalt phthalocyanine (CoPc) on Ag(100) in reciprocal space based on the helium spin-echo technique in comparison with previous scanning tunnelling microscopy studies. It is found that the activation energy for lateral diffusion changes from 150meV at 45-50K to ≈100meV at 250-350K, and that the process goes from exclusively single jumps at low temperatures to predominantly long jumps at high temperatures. We thus illustrate that while the general diffusion mechanism remains similar, upon comparing the diffusion process over widely divergent time scales, indeed different jump distributions and a decrease of the effective diffusion barrier are found. Hence a precise molecular-level understanding of dynamical processes and thin film formation requires following the dynamics over the entire temperature scale relevant to the process. Furthermore, we determine the diffusion coefficient and the atomic-scale friction of CoPc and establish that the molecular motion on Ag(100) corresponds to a low friction scenario as a consequence of the additional molecular degrees of freedom.

Optimasi Dan Formulasi Sediaan Gel Ekstrak Etanol Hydrocotyle Verticillata Thub Dengan Variasi Konsentrasi HPMC Dengan Penambahan Asam Usnat

Hydrocotyle verticillata Thub is a plant that can be used to treat burns. Usnic acid can inhibit pathogenic microorganisms and can act as an anti-inflammatory, both of which can contribute to the wound healing process. The aim of this research is to determine the extract of gotu kola leaves which is formulated into a gel preparation. Gel is a semi-solid system produced by small particles or large organic molecules that penetrate through a liquid. The gel is easy to use, easily absorbed into the skin, and contains soothing and moisturizing properties that have a healing effect. Gel formulations were made with varying concentrations of HPMC F1 (8%), F2 (8%), F3 (8%), F4 (9%), F5 (10%). The gel produced organoleptically has a distinctive gel aroma, green to brownish in color. In the homogeneity test, all preparations were homogeneous and there were no granules, the pH test showed a pH value ranging from 5.17-6.36, the spreadability test was 5.1-6.4 cm. In the viscosity test, the results were 9,250-40,000 cps, the adhesion test obtained results in 13-64 seconds and the cycling test was stable during storage. Based on the research that has been carried out, it can be concluded that the ethanol extract of gotu kola leaves (Hydrocotyle verticillata Thub)can be formulated into a gel preparation and the results of the physical evaluation of the ethanol extract gel preparation of gotu kola leaves(Hydrocotyle verticillata Thub) with varying concentrations of HPMC and the addition of usnic acid are satisfactory. condition.

Pd-Mn/NC Dual Single-Atomic Sites with Hollow Mesopores for the Highly Efficient Semihydrogenation of Phenylacetylene.

The direct pyrolysis of metal-zeolite imidazolate frameworks (M-ZIFs) has been widely recognized as the predominant approach for synthesizing atomically dispersed metal-nitrogen-carbon single-atom catalysts (M/NC-SACs), which have exhibited exceptional activity and selectivity in the semihydrogenation of acetylene. However, due to weak adsorption of reactants on the single site and restricted molecular diffusion, the semihydrogenation of large organic molecules (e.g., phenylacetylene) was greatly limited for M/NC-SACs. In this work, a dual single-atom catalyst (h-Pd-Mn/NC) with hollow mesopores was designed and prepared using a general host-guest strategy. Taking the semihydrogenation of phenylacetylene as an example, this catalyst exhibited ultrahigh activity and selectivity, which achieved a turnover frequency of 218 molC═CmolPd-1 min-1, 16-fold higher than that of the commercial Lindlar catalyst. The catalyst maintained high activity and selectivity even after 5 cycles of usage. The superior activity of h-Pd-Mn/NC was attributed to the 4.0 nm mesopore interface of the catalyst, which enhanced the diffusion of macromolecular reactants and products. Particularly, the introduction of atomically dispersed Mn with weak electronegativity in h-Pd-Mn/NC could drive the electron transfer from Mn to adjacent Pd sites and regulate the electronic structure of Pd sites. Meanwhile, the strong electronic coupling in Pd-Mn pairs enhanced the d-electron domination near the Fermi level and promoted the adsorption of phenylacetylene and H2 on Pd active sites, thereby reducing the energy barrier for the semihydrogenation of phenylacetylene.

Application of the synergistic Ti/SnO2–Sb–Cu anode and Ti/ZnO/CuO cathode in the electrochemical treatment of wastewater

The current research mostly focused on the single working electrode of anode for the treatment of wastewater. Therefore, a low-cost dual-electrode system using Ti/SnO2–Sb–Cu (TSSC) as the anode and Ti/ZnO/CuO (TZC) as the cathode was constructed for the synergistic treatment of methylene blue dye wastewater. Electrochemical analyses of the TSSC electrode show an ultra-high oxygen evolution potential of 2.2 V, the greater stability and the excellent corrosion resistance when compared with the traditional Ti/SnO2–Sb (TSS) electrodes. Hydroxyl radicals (•OH) are thought to be the main oxidants in the degradation process, the results show that the content of •OH of the TZC cathode is 57 % higher than that of ordinary inert electrode. Due to the synergistic effect of the two electrodes, the color of methylene blue can be quickly removed by 99 % in 20 min, and the highest chemical oxygen demand (COD) removal rate can reach 79.5 %. The optimal operation conditions were a pH of 4, a current density of 20 mA cm−2 and an initial concentration of 50 mg L−1. Finally, the degradation pathway of MB was investigated using GC-MS technique and UV absorption spectroscopy. The results suggest that the large organic molecules are continuously cleaved to produce simple aromatic hydrocarbons, which are then destroyed to simple minor organic molecules, ultimately oxidized to CO2 and H2O. This investigation suggests a new idea for the design of an efficient and cost-effective double electrode for the electrocatalytic degradation of dye wastewater.