NH2 Functional Groups Research Articles

Exploring the role of carbon nitrides (melem, melon, g-C3N4) in enhancing photoelectrocatalytic properties of TiO2 nanotubes for water electrooxidation

Carbon nitrides (CNs), synthesised from melamine at temperatures 400 °C or 525 °C with their derivatives prepared by acidic protonation and oxidation using H2SO4 are tested as co-catalysts for oxygen evolution reaction (OER) modifying anodic Titania nanotubes (TiO2–NTs) surface. Materials exhibit crystalline structures and contain tri-s-heptazine rings with different terminal groups (–NH2, –NHOH, –NO2, –OH, =O), which are important for their catalytic and photoelectrocatalytic performance. These materials exhibit p-type semiconductor behaviour. Heterojunctions formed by n-type TiO2 and p-type carbon nitrides were tested using linear sweep voltammetry (LSV) in the dark and under illumination in the potential range allowing the water oxidation reaction to proceed. It is demonstrated, that the presence of –NH2 functional groups play a considerable role in OER kinetics in the dark. Changes in photocurrent at the anodic potential range are discussed considering Z–scheme heterojunction formation promoted with the catalytic activity of –NH2/– NHOH pending groups. Acid-treated melem in junction with Titania nanotubes emerges as the best co-catalyst for anodic water oxidation in the dark, with a Tafel slope of 83 mV/dec. This research encourages further exploration of melem and melon co-catalysts for improved electro- and photoelectrocatalytic applications.

Enhanced Carbon Dioxide Capture from Diluted Streams with Functionalized Metal-Organic Frameworks.

Capturing carbon dioxide from diluted streams, such as flue gas originating from natural gas combustion, can be achieved using recyclable, humidity-resistant porous materials. Three such materials were synthesized by chemically modifying the pores of metal-organic frameworks (MOFs) with Lewis basic functional groups. These materials included aluminum 1,2,4,5-tetrakis(4-carboxylatophenyl) benzene (Al-TCPB) and two novel MOFs: Al-TCPB(OH), and Al-TCPB(NH2), both isostructural to Al-TCPB, and chemically and thermally stable. Single-component adsorption isotherms revealed significantly increased CO2 uptakes upon pore functionalization. Breakthrough experiments using a 4/96 CO2/N2 gas mixture humidified up to 75% RH at 25 °C showed that Al-TCPB(OH) displayed the highest CO2 dynamic breakthrough capacity (0.52 mmol/g) followed by that of Al-TCPB(NH2) (0.47 mmol/g) and Al-TCPB (0.26 mmol/g). All three materials demonstrated excellent recyclability over eight humid breakthrough-regeneration cycles. Solid-state nuclear magnetic resonance spectra revealed that upon CO2/H2O loading, H2O molecules do not interfere with CO2 physisorption and are localized near the Al-O(H) chain and the -NH2 functional group, whereas CO2 molecules are spatially confined in Al-TCPB(OH) and relatively mobile in Al-TCPB(NH2). Density functional theory calculations confirmed the impact of the adsorbaphore site between of two parallel ligand-forming benzene rings for CO2 capture. Our study elucidates how pore functionalization influences the fundamental adsorption properties of MOFs, underscoring their practical potential as porous sorbent materials.

Separator functionalization realizing stable zinc anode through microporous metal-organic framework with special functional group

Aqueous zinc ion batteries (AZIBs) have been regarded as one of the most promising energy storage systems because of their security, high specific capacity and abundant zinc resources, etc. Despite the promising prospects of AZIBs, their practical application is still plagued by dendrite and side reactions on zinc surface. In this paper, glass fiber separators were modified by in-situ loading metal-organic framework MIL-125 (M-125) and its -NH2-functionalized material (NM-125). The designed separator pore structure was successfully adjusted and endowed with -NH2 functional groups, which can ultimately dramatically enhance the electrochemical performance of AZIBs under practical operation conditions. The functionalized NM-125 with smaller pore size and particle size enables NM-125-GF to prevent the transport of macromolecular anions in the electrolyte, guiding and promoting zinc ions to undergo an orderly migration. In addition, -NH2 of NM-125 can adsorb Zn2+ and detach them from the solvated structure, inhibiting the generation of anode-side reactions and optimizing battery performance. Notably, Zn||MnO2 full cell assembled with -NH2 functionalized separator also shows a high initial discharge specific capacity (160.2 mAh g-1) with a high capacity retention of ∼99.8% even after 700 cycles. The rational design of the functionalized separator provides a useful guideline for optimizing high-performance AZIBs.

Synthesis of nanochitosan from oyster pearl shell (Pinctada maxima) as renewable energy candidate

The increase in energy needs must be balanced by environmentally friendly technological innovations. Chitosan polymer is one of the technological innovations of energy materials that are being developed by many developed countries. This research aimed to identify the potential of oyster pearl shell waste as a source of electrolyte polymers. The study was conducted experimentally by synthesizing chitosan nanoparticles from chitosan using the ionic gelation method. Chitosan is obtained through the isolation method from Pinctada maxima oyster pearl shell waste. The isolation method is carried out by three processes: deproteination, demineralization, and deacetylation. Several characterizations were carried out to analyze the material from the synthesis, including a proximate test, FTIR analysis, and PSA analysis. Isolated chitosan was identified to have a deacetylation degree that reached 88.63% with the formation of OH and NH2 functional groups. In general, the proximate tets data has shown that the obtained chitosan already meets the Indonesian standard SNI 7949:2013. PSA analysis resulted in differences in size distribution, PDI, and zeta potential between chitosan and chitosan nanoparticles. The results were obtained by the average distribution of chitosan particle size of 52.043 μm and chitosan nanoparticle size of 2.3365 μm—the analysis of the potential zeta of chitosan -3.9 mV and chitosan nanoparticle -21,6 mV. Thus, changes in the size of the chitosan material affect its potential PDI and zeta values. The change of these two values is a good indicator of the initial data and the potential of the material as an energy material. Therefore, chitosan polymer is an electrolyte material that can be used as a candidate for environmentally friendly renewable energy materials

Catalytic reduction, antibacterial, and antioxidant activities of green synthesized silver nanoparticles using Coccinea grandies (L) Voigt leaf extract

In this study, silver nanoparticles (AgNPs) were synthesized using the aqueous extract of Coccinia grandis (L) Voigt leaf (CGL) extract using microwave irradiation method and the structure was elucidated by various techniques such as UV–Visible spectroscopy, Fourier transformation infrared spectroscopy (FT-IR), x-ray diffraction (XRD), field emission scanning electron microscopy (FESEM), energy-dispersive x-ray spectroscopy (EDX), and high-resolution transmission electron microscopy (HR-TEM). The UV–visible spectroscopy confirmed the formation of AgNPs and SPR band appear at 420 nm. FT-IR analysis indicated the presence of –OH and –NH functional groups from secondary molecules of CGL capping the AgNPs surface. HR-TEM revealed spherical aggregates with an average size of 29.4 nm. EDX confirmed the presence of elemental silver. XRD analysis showed that the AgNPs had a face-cantered cubic (FCC) crystal structure. The CGL-AgNPs were used as a heterogeneous catalyst to reduce RhB and CR dyes from aqueous solutions in the presence of sodium borohydride (NaBH4). The results showed that greater than 95 % of catalytic reduction can be accomplished within 9 min. The biosynthesized AgNPs demonstrated notable antioxidant activity (82.89 % in the DPPH assay) and antibacterial activity with a Zone of inhibition ranging from 9 to 11 mm. These findings suggest that CGL can be used to synthesize new, cost-effective AgNPs using an environmentally friendly approach.

Silica surface modification using cellulose as a renewable organosilane derived from coconut coir fiber for carbon capture

The properties of silica surface modification for carbon capture were studied, utilizing cellulose-amine as a modification agent derived from dissolved coconut coir fiber. To form bonds with NH2 functional groups through amination processes, cellulosic biomass waste is utilized, which is analogous to replacing alkoxy ligands. The dual-function mixture reagents dimethyl sulfoxide (DMSO) and ammonium hydroxide (NH4OH) were employed in the same system as the amine sources and solvents. Waterglass is used as a source of silica, and the modified particles are formed using a one-step consecutive sol-gel spray drying process used in a direct condensation route. Changes in the concentration of sodium lauryl sulfate (SLS) were examined to determine how they affected the essential parameters of the particles. The template is removed during particle formation without further physical or chemical processing. The particle morphology changed from donut-shaped to spherical after SLS application, as evidenced by the increase in SLS concentration. This also shows that the increase in the particle surface area is directly influenced by the increase in the formation of new pore structures with increasing SLS concentration. Through this mechanism, it is possible to extend the pore size distribution to the meso-macropore regime and initiate the formation of new mesopores. This has a direct impact on the capacity to absorb CO2 gas by increasing the cellulose-amine mass fraction that can be grafted to as high as 32.35 %wt. At an operating pressure of 6 bar, a maximum CO2 gas adsorption capacity of 5.32 mmol/g silica was attained by adding SLS 3 CMC to the silica particles. This value is 2.3 times higher than that obtained when using an aminosilane-based modification agent.

Novel MCRs of Isatins: Green Synthesis and Theoretical Study of Novel Thiazinoazepines

This study examined the utilization of an intricate procedure including isatin, α-haloketones, electron-deficient acetylenic chemicals, ammonium acetate, and isothiocyanates in an aqueous solution at standard room temperature. The objective was to produce new thiazinoazepine compounds with substantial yields. The synthesized thiazinoazepines possess NH functional groups with acidic protons and exhibit significant antioxidant action. The synthesized compounds demonstrated antibacterial efficacy against both Gram-positive and Gram-negative bacteria, as evaluated by the disk diffusion method. Quantum chemical methods based on density functional theory have been employed to improve understanding of reaction mechanisms. The employed methodology for the synthesis of thiazinoazepines offers numerous benefits, such as swift reaction kinetics, exceptional product yield, and uncomplicated product isolation.

Isoniazid-historical development, metabolism associated toxicity and a perspective on its pharmacological improvement.

Despite the extraordinary anti-tubercular activity of isoniazid (INH), the drug-induced hepatotoxicity and peripheral neuropathy pose a significant challenge to its wider clinical use. The primary cause of INH-induced hepatotoxicity is in vivo metabolism involving biotransformation on its terminal -NH2 group owing to its high nucleophilic nature. The human N-acetyltransferase-2 enzyme (NAT-2) exploits the reactivity of INH's terminal -NH2 functional group and inactivates it by transferring the acetyl group, which subsequently converts to toxic metabolites. This -NH2 group also tends to react with vital endogenous molecules such as pyridoxine, leading to their deficiency, a major cause of peripheral neuropathy. The elevation of liver functional markers is observed in 10%-20% of subjects on INH treatment. INH-induced risk of fatal hepatitis is about 0.05%-1%. The incidence of peripheral neuropathy is 2%-6.5%. In this review, we discuss the genesis and historical development of INH, and different reported mechanisms of action of INH. This is followed by a brief review of various clinical trials in chronological order, highlighting treatment-associated adverse events and their occurrence rates, including details such as geographical location, number of subjects, dosing concentration, and regimen used in these clinical studies. Further, we elaborated on various known metabolic transformations highlighting the involvement of the terminal -NH2 group of INH and corresponding host enzymes, the structure of different metabolites/conjugates, and their association with hepatotoxicity or neuritis. Post this deliberation, we propose a hydrolysable chemical derivatives-based approach as a way forward to restrict this metabolism.

Application of computational techniques on non-covalent interactions, H-bond nature of monomeric and dimeric form of crystal structures, and topological insights of glycine glutaric acid

This study utilizes DFT to investigate and optimize the structure of Glycine Glutaric acid (GGA) crystal in both monomer and dimer forms, assessing its electronic and optical properties. Relaxed PES scanning identified potential conformers within the COOH and NH2 functional groups. FT-IR spectrum confirmed these groups and simulated spectra were correlated with the experimental data. The stable monomer was selected for detailed analysis of electronic charge transfer using MEP, FMOs, and UV–visible absorbance spectra. Non-covalent interactions, primarily O–H⋯O and N–H⋯O hydrogen bonds, were explored using optimized structures. Solvent effects, analyzed via the IEFPCM method, revealed heightened reactivity in the aqueous phase. Topological studies (AIM, LOL, ELF, and RDG) and Hirshfeld surface analysis were applied to understand inter and intramolecular contacts, with crystal packing dominated by O⋯H/H⋯O interactions contributing to 63.4 % efficiency. As per DFT prediction, the GGA exhibits strong NLO potential due to significantly higher polarizability and hyperpolarizability (⟨β⟩= 1.3618 × 10−30 e.s.u.) indicating promising nonlinear optical properties.

Sustainable solution for wastewater management: Fabrication of cost-effective β-cyclodextrin incorporated chitosan polyvinyl alcohol composite hydrogel film for the efficient adsorption of anionic congo red and tartrazine dyes

Dyes are an integral part of leather, textiles, food, and packaging materials, providing aesthetic appeal to the finished article. These industries use large amounts of water, creating wastewater with harmful, toxic, and hazardous pollutants, posing significant health and environmental risks to the public and ecological system. Therefore, to resolve this issue, a superabsorbent β-cyclodextrin incorporated chitosan polyvinyl alcohol cross-linked with citric acid composite hydrogel film (β-CD/Ch/PVA) has been developed for the effective adsorption of congo red (CR) and tartrazine dyes (TG). The Fourier-transform infrared spectroscopic (FTIR) analysis confirmed the presence of –OH, –NH2 functional groups in hydrogel film. The rough surface morphology was obtained through Field emission scanning electron microscopic (FESEM) analysis. Brunauer-Emmett-Teller (BET) method gave the surface area of hydrogel, which is 17.34 m2/g with pore diameter of 4.12 nm, indicating its mesoporous nature. Adsorption parameters like contact time, temperature, pH, initial concentration of dyes, and dosage of hydrogel have been optimized by batch adsorption studies and the Box-Behknen Design Model. In batch experiments, the hydrogel film effectiveness was confirmed, achieving high removal efficiencies of 95.38 % and 96.3 % for CR and TG dyes at pH 7 and 6, respectively. The adsorption process followed the pseudo-second-order kinetics and Langmuir model at room temperature for both dyes, and the maximum adsorption capacity was found to be 366.34 mg/g, 1436.04 mg/g for CR and TG dyes, respectively. The thermodynamic study revealed that the adsorption of dyes was spontaneous and endothermic in nature. The electrostatic interactions and hydrogen bonding between the hydrogel and dye molecules were responsible for the adsorption. This hydrogel film can be reused for 5 consecutive adsorption–desorption cycles for both dyes, maintaining upto 85 % in removal efficiency. Hence, the synthesized β-cyclodextrin incorporated chitosan polyvinyl alcohol composite hydrogel film holds great potential for the remediation of wastewater effluents and addressing environmental issues.

Efficient removal of Pb(II) and Cd(II) from water by polyethyleneimine-amidated sepiolite-sodium alginate composite microspheres: Characterization and mechanistic analysis

In order to improve the physicochemical properties of heavy metal adsorbents, researchers developed a novel composite microsphere material (SEI) by incorporating Sepiolite (Sep) and cross-linked polyethyleneimine (PEI) with sodium alginate (SA) as a carrier. The stability of the SEI under normal use conditions was high by thermogravimetric analysis, and COOH, OH, and NH2 functional groups were detected by FTIR, which were confirmed to be involved in adsorption. It was found that the adsorption rate of SEI on Pb(II) and Cd(II) obeyed a pseudo-second-order kinetic model, while the adsorption pattern was closely related to the Langmuir equation. Notably, the maximum adsorption capacity of SEI for Pb(II) and Cd(II) was 1099.93 mg/g and 112.89 mg/g, respectively, at 30 °C. In addition, thermodynamic analyses showed that the adsorption process was spontaneous, with entropy increase along with heat absorption. After six adsorption and desorption cycles, the removal of Pb(II) and Cd(II) by SEI remained above 90 %. These findings suggest that SEI is a promising and environmentally friendly material for the removal of Pb(II) and Cd(II).

Significant promotion of NO separation selectivity from flue gas by the –NH2 functional group on Fe–Ni bimetallic MOF at ambient conditions

Significant promotion of NO separation selectivity from flue gas by the –NH2 functional group on Fe–Ni bimetallic MOF at ambient conditions

Multifunctional organic salts synergize interfacial passivation for efficient PSCs

Fully inorganic metal halide perovskite solar cells (PSCs) exhibit high efficiency and excellent thermal stability. However, the presence of surface traps caused by oxygen vacancies in the electron transport layer leads to significant non-radiative charge recombination, which limits both the short-circuit current density (JSC) and photoelectric conversion efficiency (PCE). In this study, we propose a dual-purpose strategy by incorporating the multifunctional organic salt dopamine hydrochloride (DACl) as an additive into the electron transport layer. Firstly, DACl acts as a Lewis base when added to TiO2 films, facilitating improvements in electron transport properties and resulting in higher photovoltaic quality of subsequently deposited perovskite layers. This enhancement significantly improves overall photovoltaic performance. Secondly, DACl's electron-rich aromatic structure and -NH2 functional group can anchor undercoordinated Pb2+ ions and passivate defects within the perovskite film. Additionally, its -OH functional group and charged ion Cl- play crucial roles in improving perovskite grain size and crystallinity. As a result of these modifications, cell efficiency increased ∼35 %, from 9.37 % to 12.70 %, while short-circuit current density increased from 15.44 mA cm−2 to 17.80 mA cm−2 at an illumination intensity of 100 mW cm−2. These findings suggest that introducing DACl into the ETL layer is a promising approach for achieving efficient and stable PSCs.

Copper-Based Bio-MOF/GO with Lewis Basic Sites for CO2 Fixation into Cyclic Carbonates and C-C Bond-Forming Reactions.

Several measures, including crude oil recovery improvement and carbon dioxide (CO2) conversion into valuable chemicals, have been considered to decrease the greenhouse effect and ensure a sustainable low-carbon future. The Knoevenagel condensation and CO2 fixation have been introduced as two principal solutions to these challenges. In the present study for the first time, bio-metal-organic frameworks (MOF)(Cu)/graphene oxide (GO) nanocomposites have been used as catalytic agents for these two reactions. In view of the attendance of amine groups, biological MOFs with NH2 functional groups as Lewis base sites protruding on the channels' internal surface were used. The bio-MOF(Cu)/20%GO performs efficaciously in CO2 fixation, leading to more than 99.9% conversion with TON = 525 via a solvent-free reaction under a 1 bar CO2 atmosphere. It has been shown that these frameworks are highly catalytic due to the Lewis basic sites, i.e., NH2, pyrimidine, and C═O groups. Besides, the Lewis base active sites exert synergistic effects and render bio-MOF(Cu)/10%GO nanostructures as highly efficient catalysts, significantly accelerating Knoevenagel condensation reactions of aldehydes and malononitrile as substrates, thanks to the high TOF (1327 h-1) and acceptable reusability. Bio-MOFs can be stabilized in reactions using GO with oxygen-containing functional groups that contribute as efficient substitutes, leading to an expeditious reaction speed and facilitating substrate absorption.

A novel Fe3O4@Pt synthetized via a self-assembly strategy as efficient Fenton-like@mimetic enzyme catalyst for degradation of tetracyclines in food processing wastewater

The self-assembly approach has successfully been used to generate Fe3O4@Pt, a material that can mimic peroxidase. The material was created by modifying the surface of Fe3O4 nanoparticles (Fe3O4 NPs) with -NH2 functional groups using 3-Aminopropyltriethoxysilane (APTES), and then using the coordination between platinum ions and -NH2 on the surface of magnetic particles to reduce platinum ions to the surface of magnetic particles under ultrasonic conditions to produce Fe3O4@Pt composite nanoparticles. The Fe3O4@Pt core-shell composite material not only has the inert metal Pt to protect Fe3O4 to improve the stability of Fe3O4 in the biological matrix, but also has the high catalytic activity of Fe3O4 and Pt. The catalysts were characterized, and the findings revealed that they were non-homogeneous Fenton catalysts with high dispersion, uniform particle size, and a large specific surface area. Since a large number of free radicals generated during the catalysis of Fe3O4@Pt mimic enzyme can trigger the Fenton reaction, tetracycline (TC) and oxytetracycline (OTC) were chosen as target substances, and a system for the combined degradation of tetracyclines pollutants by mimic enzyme and Fenton reaction was established, and the catalytic mechanism of this system has been investigated. The findings indicate that by using a concentration of 0.25 mol/L of H2O2, a catalyst amount of 1.5 g/L, a reaction time of 50 min, and a reaction temperature of 50°C, the degradation rate of TC and OTC can exceed 97 %, following first-order degradation kinetics. Under ideal conditions, over 95 % of each tetracyclines was degraded in the simulated food processing wastewater, effectively achieving tetracyclines degradation in the actual wastewater. In addition, the reusability of the recovered Fe3O4@Pt mimetic enzyme was investigated. The findings indicated that the Fe3O4@Pt mimetic enzyme has exceptional activity, stability, and reproducibility. The combination of the Fenton reaction with the Fe3O4@Pt mimetic enzyme can expedite the degradation of tetracyclines, offering a novel approach for eliminating recalcitrant contaminants in wastewater.

Enhanced stability of sodium anodes by amino-functioned macroporous two-dimensional nanodiamond coated polypropylene separators

The abundance and cost-effectiveness of sodium metal present a promising foundation for the widespread adoption of sodium-metal batteries (SMBs). However, the dendrite formation during the repeated Na deposition/stripping process impedes the long-term stable operation of the batteries. To tackle these concerns, a separator structure is designed by coating commercial polypropylene (PP) with amino (NH2) functionalized two-dimensional diamonds (diamane) with macroporous structure. As a result, the Na symmetric cell incorporating the PP/NH2-diamane separator exhibits sustained stability for 3200 h at 5 mA cm−2 with 1 mAh cm−2, and 1800 h at a high current density of 20 mA cm−2 with 1 mAh cm−2. The excellent electrochemical performance of the cell with the PP/NH2-diamane separator can be attributed not only to the sodiophilic NH2 functional groups facilitating the uniform deposition of Na ion, but also to the homogeneously macroporous channels formed on the PP separators, enabling uniform and rapid transportation of sodium ions through the separator. Moreover, the PP/NH2-diamane separator also enhances the rate capability and long-cycle stability of Na metal batteries. This cost-effective strategy offers a promising avenue for engineering stable SMBs through simply separator modifications.

The dual-configured hydrogen bonds induced by polymerized deep eutectic solvents-modified magnetic biochar enhanced the selectivity for 3,4-methylenedioxymethamphetamine

The accurate discovering and monitoring of 3,4-methylenedioxymethamphetamine (MDMA) are especially important because of its substantial toxicity and potential harm to human and the ecological systems. Three types of polymerized deep eutectic solvents functionalized magnetic biochar (MBC@poly (AA/AAC/AAm-ChCl)) were successfully synthesized to adsorb MDMA. The isotherm and kinetic data confirmed that MBC@poly (AAm-ChCl) had the strongest adsorption capacity, and the order of adsorption capacity is as follow: MBC@poly(AAm-ChCl) > MBC@poly(AA-ChCl) > MBC@poly(MAA-ChCl), which also revealed that the adsorption was heterogeneous multi-layer chemisorption. The findings of the characterizations manifested that MBC@poly(AAm-ChCl) was the optimal adsorbent owning to its higher nitrogen content, resulting in the formation of a greater number of hydrogen bonds. Due to the strong hydrogen bonding effect of CO and –NH2 functional groups, MBC@poly(AAm-ChCl) exhibited the high selectivity towards MDMA under the coexistence of multiple chemical substances, and excellent adsorption performance over the pH range of 4–11. Urea as a hydrogen bond inhibitor further confirmed MBC@poly(AAm-ChCl) had high-density active hydrogen bonding sites. Furthermore, utilizing density functional theory (DFT) for simulating adsorption both before and after the process verified that the high selectivity of MBC@poly(AAm-ChCl) attributed to the formation of the dual-configured hydrogen bonds. This study provides support for the production of highly selective biochar for use in pretreatment during drug detection.

Experimental research on the influence of acid on the chemical and pore structure evolution characteristics of Wenjiaba tectonic coal.

The chemical and pore structures of coal play a crucial role in determining the content of free gas in coal reservoirs. This study focuses on investigating the impact of acidification transformation on the micro-physical and chemical structure characteristics of coal samples collected from Wenjiaba No. 1 Mine in Guizhou. The research involves a semi-quantitative analysis of the chemical structure parameters and crystal structure of coal samples before and after acidification using Fourier Transform infrared spectroscopy (FTIR) and X-ray diffraction (XRD) experiments. Additionally, the evolution characteristics of the pore structure are characterized through high-pressure mercury injection (HP-MIP), low-temperature nitrogen adsorption (LT-N2A), and scanning electron microscopy (SEM). The experimental findings reveal that the acid solution modifies the structural features of coal samples, weakening certain vibrational structures and altering the chemical composition. Specifically, the asymmetric vibration structure of aliphatic CH2, the asymmetric vibration of aliphatic CH3, and the symmetric vibration of CH2 are affected. This leads to a decrease in the contents of -OH and -NH functional groups while increasing aromatic structures. The crystal structure of coal samples primarily dissolves transversely after acidification, affecting intergranular spacing and average height. Acid treatment corrodes mineral particles within coal sample cracks, augmenting porosity, average pore diameter, and the ratio of macro-pores to transitional pores. Moreover, acidification increases fracture width and texture, enhancing the connectivity of the fracture structure in coal samples. These findings provide theoretical insights for optimizing coalbed methane (CBM) extraction and gas control strategies.

Area-selective atomic layer deposition of Ru thin films by chemo-selective inhibition of alkyl aldehyde molecules on nitride surfaces

Area-selective atomic layer deposition (AS-ALD) on pre-defined areas is of crucial importance nowadays in significantly reducing complexities associated with current top-down fabrication processes. In this work, we report the effects of surface modification using various alkyl aldehyde inhibitors with different chain lengths—hexanal, decanal, and undecanal—on nitride surfaces such as TiN and SiN to achieve AS-ALD. On the basis of density functional theory calculations and experimental analysis, including water contact angle and X-ray photoelectron spectroscopy, it is evident that aldehydes would chemo-selectively react with the –NH2 functional groups present on the nitride surfaces. Then, we further investigate their blocking ability against subsequent Ru ALD, a promising next-generation electrode material. It is worth noting that the Ru deposition thickness decreased by 4–10 nm with the presence of undecanal adsorbed on SiN and TiN substrates. Finally, we successfully demonstrate AS-ALD of Ru thin films over 8 nm on a patterned TiN/SiO2 substrate. These results hold potential for applications in bottom-up nanofabrication techniques for next-generation nanoelectronic applications.

Metal organic framework anchored onto biowaste mediated carbon material (rGO) for remediation of chromium (VI) by the photocatalytic process

Groundwater contaminated with hexavalent chromium Cr(VI) causes serious health concerns for the ecosystem. In this study, a hybrid amino functionalized MOF@rGO nanocatalyst was produced by utilization of a biowaste mediated carbon material (reduced graphene oxide; rGO) and its surface was modified by in situ synthesis of a nanocrystalline, mixed ligand octahedral MOF containing iron metal and NH2 functional groups and the prepared composite was investigated for Cr (VI) removal. The photocatalytic degradation of Cr(VI) in aqueous solutions was carried out under UV irradiation. Using a batch mode system, the effect of numerous control variables was examined, and the process design and optimization were carried out by response surface methodology (RSM). The photocatalyst, NH2-MIL(53)-Fe@rGO, was intended to be a stable and highly effective nanocatalyst throughout the recycling tests. XRD, SEM, EDS, FTIR examinations were exploited to discover more about surface carbon embedded with MOF. 2 g/L of NH2-MIL-53(Fe)/rGO was utilized in degrading 200 mg/L of Cr(VI) in just 100 min, implying the selective efficacy of such a MOF-rGO nanocatalyst. Moreover, the Eg determinations well agreed with the predicted range of 2.7 eV, confirming its possibility to be exploited underneath visible light, via the Tauc plot. Thus, MOF anchored onto biowaste derived rGO photo-catalyst was successfully implemented in chromium degradation.