Articles published on Surface Active Sites
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- New
- Research Article
- 10.1016/j.envpol.2026.127920
- May 15, 2026
- Environmental pollution (Barking, Essex : 1987)
- Hongwei Luo + 6 more
Recent advances in biochar-mediated mitigation of microplastics: A comprehensive review on removal mechanisms, toxicity alleviation strategies, and synergistic environmental impacts.
- New
- Research Article
- 10.1016/j.biortech.2026.134179
- May 1, 2026
- Bioresource technology
- Chuanbin Wang + 7 more
Mechanistic insights into nitrogen doping effects on cobalt-loaded biochar for peroxymonosulfate Catalysis.
- New
- Research Article
- 10.3390/catal16050378
- Apr 24, 2026
- Catalysts
- Yuan Tian + 4 more
The widespread presence of ciprofloxacin (CIP) in aquatic environments threatens ecological and public health, yet conventional treatment processes fail to remove such persistent contaminants. Conventional solvothermal synthesis of Bi-doped g-C3N4 photocatalysts involves complicated procedures and low productivity. Herein, we employ a single-step, template-free and solvent-free green calcination method to construct Bi3+-modified g-C3N4 with strong Bi-N coordination interactions. A series of Bi/g-C3N4 photocatalysts with Bi-doping mass ratios of 0.09–0.34 wt% was prepared, and the structure–performance relationship as well as the surface–interface reaction mechanism for ciprofloxacin (CIP) degradation were systematically elucidated. Experimental results confirm that Bi3+ incorporates into the lattice via Bi-N coordination bonds with nitrogen in the g-C3N4 framework, which narrows the band gap, suppresses photogenerated carrier recombination, and constructs a loose porous morphology beneficial for increasing specific surface area and active sites. Under optimal conditions, 15Bi/g-C3N4 achieves 97.6% degradation of 15 mg L−1 CIP within 90 min, which is 13.7% higher than that of pristine g-C3N4. The effects of catalyst dosage, initial pH, CIP concentration, common coexisting ions, and different real water matrices on the degradation performance were systematically investigated. Radical quenching experiments combined with ESR characterization confirm that h+ is the dominant reactive species responsible for CIP degradation. This green, simple and scalable method yields uniform products, and the resulting materials exhibit high efficiency, economic feasibility and environmental safety, demonstrating promising potential for antibiotic wastewater treatment.
- Research Article
- 10.1088/2631-6331/ae5e3b
- Apr 11, 2026
- Functional Composites and Structures
- Hyunju Park + 2 more
Abstract The increasing demand for high-performance and sustainable lithium-ion batteries has led to the exploration of alternative anode materials beyond traditional graphite. Hard carbon, a disordered form of carbon characterized by expanded interlayer spacing and a high density of defect sites, exhibits promising electrochemical properties, particularly under fast-charging and low-temperature operation conditions. In this study, waste polyethylene terephthalate (PET) was converted into hard carbon anodes through pyrolysis at two different temperatures: 1000 °C and 1500 °C. The objective was to examine how the thermal treatment affects the structural characteristics and lithium ion storage behavior of the materials. X-ray diffraction (XRD), Raman spectroscopy, X-ray photoelectron spectroscopy (XPS), and transmission electron microscopy (TEM) analyses indicated that the lower-temperature (1000 °C) heat-treated PET-derived hard carbon (pHC-L) had a more disordered structure with larger interlayer spacing and a higher concentration of defects. In contrast, the higher-temperature (1500 °C) heat-treated sample PET-derived hard carbon (pHC-H) showed increased graphitic ordering and fewer surface-active sites. At 20 mA g-1, the hard carbon produced at the lower heat-treatment temperature delivered 186.94 mAh g-1, compared with 130.15 mAh g-1 for the higher-temperature product; this improvement is attributed to the larger interlayer spacing and higher defect/micropore population, which promote sloping-type lithium-ion adsorption and pore-filling. Meanwhile, pHC-H demonstrated better rate performance with reduced polarization and enhanced reversibility. Both electrodes displayed a gradual increase in capacity during cycling, indicating structural activation attributed to solid-electrolyte interphase stabilization and improved accessibility of the electrolyte. These findings indicate that waste PET-derived hard carbon can be effectively optimized through pyrolysis temperature to achieve a balance between capacity and rate capability. This presents a sustainable and versatile platform for anode materials in next-generation lithium-ion batteries.
- Research Article
- 10.1039/d5nr05231a
- Apr 2, 2026
- Nanoscale
- Arijit Maity + 3 more
In light of increasing population pressures, constrained natural resources and escalating energy requirements, the advancement of energy research and pharmaceutical development has become urgent. In this regard, we employed an ionothermal method to synthesize a covalent triazine framework (CTF) using 2,3,6,7-tetra(4-cyanophenyl)tetrathiafulvalene (TTFCN) and ZnCl2 (1 : 10 molar ratio) at 400 °C. Subsequently, a palladium ion or palladium nanoparticle (Pd-NP) supported CTF material, named CTFTTF@Pd, was prepared through an in situ process in the absence of any reducing agent. The synthesized CTFTTF@Pd was characterized using FTIR, PXRD, X-ray photoelectron spectroscopy (XPS), SEM, TEM, and N2 sorption measurements. The presence of C, N, S and Pd was confirmed by XPS analysis. TEM analysis confirmed the uniform distribution of Pd(II) and Pd(0) sites within CTFTTF@Pd, with an average particle size of approximately 8 nm. The catalyst CTFTTF@Pd exhibited superior efficiency and reusability in Suzuki-Miyaura cross-coupling reactions. The small Pd-NPs in CTFTTF@Pd enhanced the surface-active site density, driving superior catalytic activity. In addition, the electrocatalytic hydrogen evolution performance of the catalyst in alkaline media was investigated, and it was found to exhibit excellent long-term cycling stability. This work highlights the potential of S,N-containing carbon materials to generate catalytically active metal ions without the use of reducing agents, offering a strategy for designing recyclable catalysts for efficient chemical and energy production.
- Research Article
- 10.1016/j.surfin.2026.108989
- Apr 1, 2026
- Surfaces and Interfaces
- Lucas Güemes + 2 more
Gaining insight into the synthesis of nanosized pure zeolite NaA
- Research Article
- 10.1002/slct.202504270
- Apr 1, 2026
- ChemistrySelect
- Shamaila Sajjad + 4 more
ABSTRACT The WO 3 ‐Al 2 O 3 composite was synthesized using an innovative wet chemical approach. This way involved fabricating Al 2 O 3 micro‐cubes from Al foil. Polyethylene glycol (PEG) acted as a soft template to control morphology. The incorporation of WO 3 nanospheres onto Al 2 O 3 cubes significantly boost up photo efficiency of the hybrid material that facilitate the removal of pollutants. WO 3 particles revealed jointly spherical and pseudospherical forms. Smaller particles showed a well‐defined spherical structure while larger agglomerates exhibited a pseudospherical shape. Al 2 O 3 cubes offered a plenty of active surface sites that enhanced the light absorption, dye adsorption and also created a homogeneous WO 3 sphere distribution on the composites. The subsequent well‐crystalline hybrid structure was beneficial to the efficient charge transfer and less recombination by increasing the reaction kinetic and quantum Efficiency. Moreover, materialization of Al–O–W interfacial linkages significantly improved charge carrier separation and transfer that lead to superior photocatalytic performance. This was inveterate by structural analyses that validated the presence of Al–O–W bonds. 10.0 wt.% WO 3 /Al 2 O 3 composite showed the highest activity with 89.0% and 65.0% removal of MB and MO, respectively under solar light. The influence of PEG and CTAB enabled optimal particle morphology to boost the catalyst's effectiveness.
- Research Article
- 10.1016/j.jes.2025.08.017
- Apr 1, 2026
- Journal of environmental sciences (China)
- Fengyu Li + 7 more
Tribridged hydroxyl groups regulated by Ni/La ratio for enhanced ozone decomposition over Ni-La bimetallic basic carbonate catalysts.
- Research Article
- 10.1002/adfm.74999
- Mar 19, 2026
- Advanced Functional Materials
- Jian Gao + 6 more
ABSTRACT Hydrolysis catalyzed by metal oxides is an effective approach for removing carbonyl sulfide (COS) from blast furnace gas, but constructing highly active catalytic sites that function efficiently under low–temperature conditions remains a fundamental challenge. In this work, perovskite–type niobate catalysts (KNbO 3 , NaNbO 3 , and LiNbO 3 ) are synthesized via a sol–gel method and subsequently modified under a strongly reducing NH 3 atmosphere at elevated temperatures to simultaneously generate oxygen vacancies and nitrogen dopants (both substitutional and interstitial), thereby significantly enhancing their catalytic performance and H 2 S selectivity for COS hydrolysis. Among them, NH 3– treated N–KNbO 3 achieves 100% COS conversion and 100% H 2 S selectivity at 100 °C. Comprehensive physicochemical characterizations and density functional theory (DFT) calculations indicate that NH 3 treatment achieves a “four–in–one” effect: oxygen vacancy engineering, nitrogen doping, morphology engineering, and modulation of surface active sites. This study systematically elucidates the structure–activity relationship underlying the synergistic interplay between nitrogen doping and oxygen vacancies in KNbO 3 , demonstrates the cooperative promotional role of oxygen vacancies and interstitial nitrogen during hydrolysis, and underscores the critical importance of surface reactive oxygen species and weakly basic sites. These findings provide both a theoretical foundation and practical design strategies for developing high–performance catalysts for low–temperature COS hydrolysis.
- Research Article
- 10.1039/d5em00646e
- Mar 18, 2026
- Environmental science. Processes & impacts
- Baoshuang Zhang + 7 more
Florfenicol (FF), a typical emerging contaminant, has potential environmental and health risks, arousing widespread concern. However, the role of δ-manganese dioxide (δ-MnO2), a natural mineral, in the transformation of FF in mid-to-high latitude regions under low-temperature conditions remains unclear. In this study, reaction systems of δ-MnO2 and FF were constructed to reveal the reaction kinetics, role of active substances, and FF transformation pathways under low-temperature conditions (5.0 °C). The results showed that the equilibrium oxidation amount and reaction rate of FF at 5.0 °C were 7.0 ± 0.2 µg mg-1 and 0.02 ± 0.005 min-1. After the reaction, the concentration of adsorbed Mn(II) reached 2.6 times that of free Mn(II), which was measured at 3.7 ± 0.3 µmoL L-1. The adsorbed Mn(II) occupied the surface-active sites of δ-MnO2, thereby terminating the transformation of FF. Mn(III) induced the formation of ⋅OH, O2˙-, and H2O2, which reacted with FF. The promoting order of these substances was Mn(III) > ⋅OH > O2˙- > H2O2. Under low-temperature conditions, the transformation pathways of FF mediated by δ-MnO2 involved hydroxyl group oxidation, defluorination, dechlorination, and desulfonylation. Overall, the toxicity of most transformation products showed a decreasing trend. This study provides a theoretical basis for the natural transformation of antibiotics mediated by natural minerals in aquatic environments with low temperatures.
- Research Article
- 10.3390/nano16060366
- Mar 17, 2026
- Nanomaterials (Basel, Switzerland)
- Xiumei Xu + 6 more
In2O3 has high electron mobility, strong affinity for oxidizing gases, and abundant tunable surface oxygen species. These features enable efficient charge transfer during ozone adsorption, making In2O3 a promising ozone-sensing material. However, conventional In2O3-based gas sensors still suffer from insufficient sensitivity at low ozone concentrations and slow response/recovery rates, limiting their performance for high-precision gas detection. In this study, morphology-controlled In2O3 nanorods were synthesized via a glucose-assisted hydrothermal method, enabling coordinated regulation of the material structure and surface properties. Compared with conventional In2O3 nanocubes, the glucose-modulated In2O3 nanorods exhibited an approximately sevenfold increase in response toward 1 ppm O3, indicating markedly improved capability for detecting low-concentration ozone. In addition, the sensor demonstrated a relatively low detection limit of about 80 ppb and fast response/recovery behavior (108 s/238 s). This strategy improves gas sensing performance through morphology optimization, increased surface active sites, and enhanced electron transport, offering a feasible materials design route for high-performance ozone gas sensors and showing potential for real-time environmental ozone monitoring and related applications.
- Research Article
- 10.1039/d5dt02759d
- Mar 10, 2026
- Dalton transactions (Cambridge, England : 2003)
- Judith Medina-Vargas + 4 more
The development of efficient first-row transition metal catalysts is essential for advancing sustainable chemical processes. In this study, we report the synthesis of nickel-based nanoparticles (NiNPs) functionalized with N-heterocyclic carbene ligands and immobilized onto Ti3C2 MXene. Our convergent synthetic approach enables comprehensive and straightforward characterization of each component within the final hybrid material. The NiNPs are obtained through chemical reduction of a well-defined nickel organometallic complex, resulting in the formation of small nickel metal nanoparticles (3.0 ± 0.8 nm) that are rapidly oxidized to the corresponding NiO and Ni(OH)2 based nanoparticles containing surface NHC ligands. The hybrid catalyst exhibits high activity and selectivity in the hydrogenation of N-heterocycles under hydrogenation conditions, achieving quantitative yields at low catalyst loadings, particularly notable for a nickel-based system. Recycling studies revealed progressive catalyst deactivation, primarily due to sintering of NiNPs, which reduces the number of active surface sites. However, the catalytic activity can be fully restored through a mild regeneration treatment under reducing conditions. These findings underscore the potential of NiNP/MXene-based materials for selective hydrogenation reactions, and highlight the importance of addressing key challenges in sustainability such as the use of non-noble metals, catalyst stability and recyclability. Further design modifications aimed at preventing nanoparticle sintering may enhance the long-term viability of these systems in catalytic hydrogenation processes.
- Research Article
- 10.1002/cssc.202501908
- Mar 8, 2026
- ChemSusChem
- Rainer Götz + 11 more
Electrochemical hydrogen production and conversion using renewable energy sources have become a key topic in catalysis research. Platinum and Pt-group metals are among the best materials promoting H2 evolution (HER) and oxidation (HOR) reactions. However, the nature of active surface sites should be further elucidated to improve their performance and gain a better fundamental understanding of those processes. This is not a trivial task, mainly due to the high surface mobility of the H-species. Here, we use in situ electron paramagnetic resonance (EPR) spectroscopy to investigate the Pt surface in the so-called underpotential deposition (UPD) region in acidic media and observe EPR responses indicative of hydrogen adsorption sites, the knowledge of which is essential for both HOR and HER. Our EPR measurements and theoretical ab initio molecular dynamics (AIMD) calculations suggest that the average adsorption sites for atomic hydrogen at the surface of platinum are either on-top sites or 3-fold hollow sites, while bridge sites are not likely to be occupied. For EPR, the intensity maximum is reached at -0.85 V versus Pt, and then the signal intensity vanishes for potentials just before HER, suggesting EPR-silent H2 formation. At the same time, ab initio density functional theory (DFT) calculations of a Pt(111) surface with 7/12 ML coverage of H at room temperature yield occupancy probabilities of 0.72 (fcc hollow), 0.26 (on-top), and 0 (bridge) for the respective sites. Hence, fcc hollow is favored over on-top adsorption sites at high coverages, which is consistent with the observation via EPR spectroscopy. To our knowledge, EPR spectroscopy was used for the first time to probe the EPR response during hydrogen electrosorption in the HUPD region at polycrystalline platinum electrodes in acidic electrolytes.
- Research Article
- 10.3390/ijms27052486
- Mar 8, 2026
- International journal of molecular sciences
- Liming Shi + 6 more
N,N-Dimethyl-1,3-propanediamine (DMAPA) is an important aliphatic diamine widely used in fine chemical manufacturing. Its industrial production traditionally relies on Raney nickel catalysts, which suffer from pyrophoric hazards and limited selectivity due to imine condensation side reactions. To address these challenges, we report an Al2O3-supported Ni-Cu alloy catalyst as an efficient alternative for the selective hydrogenation of N,N-dimethylaminopropionitrile (DMAPN). The optimized Ni30Cu5/Al2O3 catalyst achieves complete DMAPN conversion and over 90% DMAPA selectivity under industrially relevant conditions (120 °C, 2.5 MPa H2). X-ray diffraction, X-ray photoelectron spectroscopy, and transmission electron microscopy analyses confirm the formation of substitutional Ni-Cu alloy nanoparticles, where Cu incorporation induces both geometric isolation of Ni ensembles and electronic modulation of surface active sites, thereby suppressing condensation-derived by-products. In addition, an NH3/ethanol-assisted process further improves selectivity while reducing autogenous operating pressure. Overall, this work demonstrates a safe and highly selective catalytic system for primary diamine synthesis, providing a practical alternative to conventional Raney Ni-based processes.
- Research Article
1
- 10.1016/j.jenvman.2026.128865
- Mar 1, 2026
- Journal of environmental management
- Runan Chen + 6 more
Green deep eutectic solvents functionalized magnetic UiO-66-NH2: A novel strategy for improved stability and adsorption of BPA.
- Research Article
- 10.1016/j.jpcs.2025.113361
- Mar 1, 2026
- Journal of Physics and Chemistry of Solids
- Saswati Bagchi + 6 more
Semiconductor-based photocatalysis represents a valuable approach for sustainable environmental remediation and the production of clean energy. Polymer semiconductors represent an environmentally friendly, metal-free and low-cost option as a photocatalyst material. Among others, graphitic carbon nitride (g-C 3 N 4 ) is one of the most promising materials due to its excellent chemical and thermal stability, as well as its layered structure that facilitates effective charge separation. However, the performance of bulk graphitic carbon nitride (g-C 3 N 4 ) is often limited by poor visible-light absorption and low specific surface area. In the present study, to address these limitations, phenyl-modified carbon nitride (PhCN) was synthesised and subjected to extended liquid-phase exfoliation via ultrasonication, leading to an increased specific surface area and enhanced exposure of active sites. Compared to its bulk counterpart, the exfoliated PhCN exhibited significantly improved photocatalytic performance, enhanced dye degradation rates for Rhodamine B and Methylene Blue in commercial white LED, confirmed mechanism by scavenger tests, and demonstrated a 1.6-fold increase in hydrogen evolution over the bulk under solar simulator. The improvement in photocatalytic activity in the test reactions is primarily assigned to reduced electron-hole recombination facilitated by structural surface defects. The present study highlights the potential of ultrasonicated PhCN for efficient visible-light-driven photocatalytic applications. • Ultrasonication exfoliation enhances PhCN surface area and active sites. • Structural integrity preserved while introducing surface defect states. • Long term sonicated PhCN shows higher H 2 evolution than bulk. • Distinct dye degradation pathways confirmed via scavenger tests. • Improved charge separation reduces electron–hole recombination.
- Research Article
1
- 10.1016/j.rineng.2026.109748
- Mar 1, 2026
- Results in Engineering
- Masoud Faraji + 4 more
UV-assisted fabrication of CdS-decorated porous ZnO–PEG disk photocatalysts for efficient dye degradation
- Research Article
1
- 10.1016/j.ijhydene.2026.154079
- Mar 1, 2026
- International Journal of Hydrogen Energy
- Waseem Raza + 1 more
Cost-effective non-precious nickel borate nanorods for integrated energy and environmental applications
- Research Article
- 10.1016/j.rineng.2025.108625
- Mar 1, 2026
- Results in Engineering
- Ismunandar + 5 more
Enhanced Hydrogen Evolution by Deep-Sea Marine Sediment Photocatalysts: Surface Modification with Bismuth Subnitrate
- Research Article
- 10.1016/j.mcat.2026.115746
- Mar 1, 2026
- Molecular Catalysis
- Jianyou Liang + 6 more
Precise elucidation of the structure-activity relationship between anatase TiO2 facets and surface active sites of V2O5-WO3/TiO2 catalysts for the NH3-selective catalytic reduction of NO