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51 articles for “potential energy surface”
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Role of Quantum Chemistry in Catalysis: A Comprehensive Review
Abstract: Catalysis plays a crucial role in modern chemical manufacturing, energy conversion, and environmental protection by enabling chemical reactions to occur more rapidly, selectively, and with reduced energy consumption. A fundamental understanding of catalytic processes at the atomic and electronic levels is essential for the rational design and optimization of catalysts. Quantum chemistry has emerged as a powerful theoretical and computational framework that enables detailed investigation of electronic structure, reaction energetics, …
Published in Journal of Catalyst & Catalysis · Vol. 13, Issue 1, 2026 · pp. 01–16 Read article
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Light-Matter Interactions in Molecular Photochemistry
Abstract: Molecular photochemistry explores the ways of molecules interaction with light, absorb photons, and excited‐state processes, and ultimately conversion of photon energy into chemical change. Core concepts of this innovative and relevant field are matter interaction like electronic, vibrational, and rotational transitions; non‐adiabatic couplings; energy & electron transfer; and light–matter coupling in weak and strong regimes. This article briefly surveys the multiplicity of these interactions, from the fundamentals of photon absorption …
Published in International Journal of Photochemistry and Photochemical Research · Vol. 3, Issue 2, 2025 · pp. 33–42 Read article
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Using Machine Learning to Guess Photochemical Reaction Pathways
Abstract: Photochemical reactions are crucial to many activities in the fields of energy conversion, environmental cleanup, and synthetic chemistry. However, predicting their causes and results effectively is still very hard since they entail excited electronic states, nonadiabatic transitions, and complicated potential energy surfaces. Machine learning (ML) has been a powerful technique to go along with classic quantum chemistry methods in the last few years. It offers better prediction capability and lower …
Published in International Journal of Photochemistry and Photochemical Research · Vol. 3, Issue 2, 2025 · pp. 01–12 Read article
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Metal Nanoparticle: Synthesis, Properties, and Their Dermatological and Cosmetic Impacts
Abstract: Nanoparticles (NPs) are materials with dimensions under 100 nm and various shapes, such as spheres and rods. Their advancement offers transformative potential in medical and healthcare fields. The increased application of NPs across molecular biology, chemistry, medicine, and material science reflects their growing importance. Due to their large surface area, NPs enhance substance delivery through the skin, benefiting cosmetic applications by improving penetration, efficacy, and targeted delivery of active ingredients.With …
Published in Recent Trends in Cosmetics · Vol. 2, Issue 2, 2025 · pp. 1–6 Read article
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Automatic Brake Failure Indication with Auxiliary Braking System
Abstract: Accidents in vehicles often happen due to diverse factors, with brake failure being a significant contributor resulting from inadequate maintenance and product defects. To protect human lives and reduce the risk of accidents, effective monitoring of brake systems is vital in the automotive industry. Vehicle safety encompasses not only the prevention of accidents but also the mitigation of their adverse effects on human health. Today’s cars come with innovative safety …
Published in Journal of Automobile Engineering and Applications · Vol. 12, Issue 2, 2025 · pp. 1–7 Read article
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Review of Thermal Performance of Solar Air Heaters: Influence of Composite Materials and Advanced Thermal Storage Techniques
Abstract: Solar air heaters (SAHs) are essential devices for capturing solar energy and converting it into heat, finding applications in steam generation, refrigeration, agricultural drying, and space and water heating in residential and commercial environments. However, the thermal performance of SAHs is often limited by the low heat transfer coefficient of air and the absence of solar energy during nighttime, impacting efficiency and reliability. To address these challenges, this study explores …
Published in Journal of Polymer & Composites · Vol. 13, Issue 5, 2025 · pp. 488–506 Read article
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Fractional Calculus-Based Analysis of Magneto-Thermal Nanofluid Flow Over Stretching and Shrinking Surfaces
Abstract: This study presents a comprehensive investigation of magneto-thermal hybrid nanofluid flow over stretching and shrinking surfaces using a fractional calculus framework to capture the memory and hereditary characteristics of complex fluid transport phenomena. The proposed model incorporates the effects of magnetic field intensity, thermal radiation, viscous dissipation, Brownian motion, and thermophoretic diffusion on the velocity and temperature distributions within the boundary layer region. A fractional-order derivative formulation is employed to …
Published in Recent Trends in Fluid Mechanics · Vol. 13, Issue 2, 2026 Read article
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A Review on Materials and Working Process Parameters of Selective Laser Sintering
Abstract: The potential for additive manufacturing technology to replace some of the current conventional manufacturing methods makes it one of the research and development fields that is expanding quickly. With additive manufacturing, three-dimensional physical models are produced layer by layer from computer-aided design (CAD) models. Fully dense metal things may be produced more rapidly and accurately with additive manufacturing. The Selective Laser Sintering (SLS) procedure uses powder bed fusion, in which …
Published in Journal of Polymer & Composites · Vol. 13, Issue 2, 2025 · pp. 522–529 Read article
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Development of Solar-Powered Automated Floating Type Oil Skimmer
Abstract: Solar-powered automatic floating oil skimmer oil spills are one of the most pressing environmental issues because they cause significant damage to marine environments. The development of a solar- powered automated floating oil skimmer offers an efficient and sustainable solution for oil spill removal. Powered primarily by solar energy, the system operates continuously without reliance on external power sources, making it ideal for remote or offshore locations. Its automated design reduces …
Published in Journal of Alternate Energy Sources & Technologies · Vol. 16, Issue 3, 2025 · pp. 29–35 Read article
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Corrosion Testing and Evaluation of Inhibitors Performance
Abstract: Choosing test methods that will analyze specific needs, like film barrier strength that real field settings is essential for the proper evaluation and development of inhibitors. The flowing loop and the bubble test are two examples of the first and second, respectively. Corrosion is measured by gravimetric, electrical noise, alternating-current impedance, potentiodynamic measurement, linear polarization and gravimetric. The inhibitors action can be analyzed in different corrosive environments. Their performance is …
Published in Journal of Materials & Metallurgical Engineering · Vol. 16, Issue 1, 2026 · pp. 82–88 Read article
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Development and Potential of Floating Solar Energy in India: A Review
Abstract: With rapid development, floating solar energy systems are now fast becoming sustainable and cutting edge solutions to problems posed by standard land-based solar energy installations. Utilizing less land with an increasing energy demand, particularly in highly populous areas, such water bodies become an effective alternative for solar power generation by floating solar installations. This study development, growth, and status of floating solar systems, with reference to their applicability and potential …
Published in Journal of Power Electronics and Power Systems · Vol. 15, Issue 2, 2025 · pp. 1–12 Read article
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Growth of Cu2O on TCO by SILAR method acts as an alternative buffer electrode layer towards the development of organic solar cell
Abstract: In many types of optoelectronic devices, layer of PEDOT: PSS is sandwiched between the indium-tin oxide (ITO) electrode and the active layer. Buffer PEDOT: PSS provides a well- defined work function which is higher than that of ITO (4.2eV), it smooths the ITO surface and so avoids shorts, and it also protects the active layer from ingress of indium or oxygen, leading to longer device lifetimes. The role of PEDOT: …
Published in Journal of Thin Films, Coating Science Technology & Application · Vol. 13, Issue 2, 2026 · pp. 18–25 Read article
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A review on Advanced Materials for Sustainable Innovation and Innovative Applications in Chemical Engineering
Abstract: High level materials assume a vital part in driving feasible mechanical headways across different enterprises. This comprehensive review paper aims to provide an in-depth analysis of the properties, synthesis methods, and potential applications of advanced materials, focusing particularly on nanomaterials, biomaterials, and smart materials. These materials exhibit unique characteristics that render them indispensable for a wide array of applications, spanning energy storage, environmental remediation, healthcare, and electronics. Nanomaterials, characterized by …
Published in Emerging Trends in Chemical Engineering · Vol. 11, Issue 1, 2024 · pp. 59–79 Read article
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Critical Review on Photocatalytic Polymer Nanocomposites for Indoor Air Purification in Hotels
Abstract: The indoor air quality has become a key measure of health, comfort, and customer satisfaction of a hospitality setting. The challenges that continually affect hotels especially because of volatile organic compounds (VOCs), particulate matter, and microbial pollutants that are present in cleaning agents, furnishing, and human activity. In this regard, the photocatalytic polymer nanocomposites are one of the sustainable and efficient means of purifying indoor air. These materials combine photocatalysts …
Published in Journal of Polymer & Composites · Vol. 14, Issue 2, 2026 · pp. 527–541 Read article
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Polymeric Coating Applied for Corrosion Protection of Mild Steel in Corrosive Medium
Abstract: Mild steel is coated with a polymer layer of polybutadiene for protection. However, this coating does not effectively safeguard the metal in environments containing moisture, sulphur dioxide, or chloride. These pollutants interact with the polybutadiene-coated surface, creating a highly corrosive atmosphere. Moisture condenses on the coated metal surface and absorbs sulphur dioxide, forming sulphuric acid. This acid initiates both chemical and electrochemical reactions with the polymer-coated metal, accelerating the corrosion …
Published in International Journal of Advance in Molecular Engineering · Vol. 3, Issue 2, 2025 · pp. 49–53 Read article
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Thermal and Morphological Characterization of Rice Starch–Charcoal Composites for Eco-Friendly Engineering Applications
Abstract: This work focuses on the development and evaluation of rice starch–charcoal–based composite materials to overcome the limitations of natural composites with low thermal properties. In order to examine the impact of filler concentration on thermal and structural performance, eight composite specimens were created by altering the ratios of rice starch and charcoal. TGA, DTA, AFM, SEM, and measurements of thermal conductivity and effusivity were used to thoroughly characterize the composites. …
Published in Journal of Polymer & Composites · Vol. 14, Issue 2, 2026 · pp. 1286–1297 Read article
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Enhancing Delamination Resistance in CFRP Composites through surface Functionalization of Woven carbon Fiber by CuO Nanostructures
Abstract: In order to produce a nanostructured interphase that improves the interfacial interaction with an epoxy resin matrix, copper oxide (CuO) nanostructures were hydrothermally formed onto woven carbon fibers (WCF). Hexagonal CuO nanorods were created using a two-step, seed-assisted solvothermal technique on plain woven carbon fiber. This study investigates the effects of surface modification of carbon fibers by the formation of CuO nanostructures using a hydrothermal technique on the mechanical properties …
Published in Journal of Polymer & Composites · Vol. 13, Issue 5, 2025 · pp. 589–602 Read article
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A Comparative Study on Formaldehyde Detection Capabilities in Pristine Graphene and Ag-doped Graphene Sheet
Abstract: The present work concerns a detailed investigation of the enhanced formaldehyde (also known as methanal) detection by decorating the pristine (or bare) graphene nanosheet with silver (Ag) nano-particle (or foreign Ag atom). The bare graphene sheet was exposed to the formaldehyde vapor forming the formaldehyde-adsorbed pristine graphene sheet (taken as Case-I), and whose results were studied and compared with the outcomes obtained from the formaldehyde-adsorbed Ag-decorated graphene sheet (taken as …
Published in Journal of Polymer & Composites · Vol. 13, Issue 1, 2025 · pp. 801–809 Read article
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Polymer-Based Nanocomposite Coatings for Enhancing Solar Photovoltaic Panel Efficiency
Abstract: Environmental factors such as dust deposition, ultraviolet (UV) radiation, and surface reflection significantly reduce the performance of solar photovoltaic (PV) modules. This study investigates the development and performance evaluation of polymer-based nanocomposite coatings designed to improve the optical and surface properties of PV panel glass. A hybrid nanocomposite coating containing TiO₂ and SiO₂ nanoparticles dispersed in a polymethyl methacrylate (PMMA) matrix was synthesized using the sol–gel technique and deposited through …
Published in Journal of Polymer & Composites · Vol. 14, Issue 3, 2026 · pp. 490–497 Read article
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Performance Evaluation of Green Walnut Husk Waste Extract for Inhibiting Aluminium 8088 Corrosion in Acidic Solution
Abstract: The cumulative call for environmental and supportable corrosion inhibitors has obsessed curiosity in exploiting plant-based agronomic surplus resources. Presented research work discovers the corrosion inhibition probable of green walnut husk extract(GWH)—a normal and plentiful agro-waste—on Aluminium 8088 alloy in an acidic medium. Aluminium 8088, however identified for its corrosion resistance, is vulnerable to squalor in highly acidic settings, affectation trials in several industrial claims. GWH extract act as an ecologically …
Published in Journal of Modern Chemistry & Chemical Technology · Vol. 17, Issue 1, 2026 · pp. 44–60 Read article