Frontiers in Chemistry, Materials and Catalysis
type: channel
description: Frontiers in Chemistry, Materials and Catalysis is a peer-reviewed journal advancing chemistry, materials science, and catalysis. It covers nanomaterials, green chemistry, sustainable materials, and catalytic processes for energy and industry. Emphasizing innovation, it bridges fundamental and applied research to drive progress in sustainable chemistry and materials development.
publisher: INTERNATIONAL STUDY COUNSELOR (PRIVATE) LIMITED
language: en
publication name: Frontiers in Chemistry, Materials and Catalysis
issn: 3079-9341
items: Statistical Modeling of Active Site Distributions on ZrO2-Decorated Copper
items: Formate-Dominated Reaction Networks on ZrO2-Modified Cu Surfaces
items: Dual Activity of Ag-Doped TiO2 Gels and Osteoporotic Implant Interface Responses
items: PF-MD Coupled Model and Suppression Strategies for Lithium Dendrite Growth in Solid-State Batteries
items: Research on the mechanism by which a high-fiber diet regulates the gut microbiota-bile acid metabolism axis and improves glucose metabolism
items: Correlating Electron Affinity with Redox Activity in Layered Birnessite
items: Neural Surrogate Modeling for Optical Coherence Tomography Reconstruction with Real-Time Constraints
items: Generative Inverse Design of Intelligent Packaging Materials with Integrated Sensing Capabilities
items: Reinforcement Learning Strategies for Multi-Scale Geometric Representation in Molecular Property Prediction
items: Machine Learning for Predicting Performance and Degradability of Bio-Based Food Packaging
items: Photocatalytic Degradation of Environmental Pollutants: Advances in Material Design
items: Single-Atom Catalysts: Precision in Catalysis for Chemical Transformations
items: Understanding Catalyst Deactivation: Mechanisms and Materials Solutions
items: Carbon-Based Catalysts: Graphene and Beyond in Modern Catalytic Applications
items: Metal-Free Catalysts: Expanding the Horizons of Organic and Sustainable Chemistry
items: High-Throughput Screening Methods for Catalyst Development: Bridging Experimentation and Theory
items: Designing Electrocatalysts for Water Splitting: Innovations in Sustainable Energy Production
items: Catalytic Conversion of Biomass to Value-Added Chemicals: A Materials Perspective
items: Recent Developments in Polymer-Based Catalytic Materials: Structure and Functionality
items: Perovskite Materials in Photocatalysis: Harnessing Solar Energy for Chemical Reactions
items: Biocatalysis and Enzyme Engineering: Pioneering Green Chemical Transformations
items: Heterogeneous Catalysis: Innovations in Material Synthesis and Applications
items: Metal-Organic Frameworks (MOFs) in Catalysis: Bridging Chemistry and Material Science
items: Green Chemistry Approaches in Catalytic Material Design: Sustainable Solutions
items: Advances in Nanocatalysis: Enhancing Efficiency in Chemical Reactions

Statistical Modeling of Active Site Distributions on ZrO2-Decorated Copper
type: item
description: Inverse catalysts exhibit significant site heterogeneity that challenges traditional single-site descriptions. In this study, a statistical model was developed to describe the distribution of active sites at ZrO2–Cu interfaces using DFT-derived energetics. Five dominant site classes were identified and weighted according to their thermodynamic stability. Ensemble-averaged microkinetic simulations show that interfacial Zr–O–Cu motifs contribute over 65% of the methanol formation rate, despite occupying less than 30% of the surface area. The ensemble model improves agreement with experimentally reported turnover frequencies compared to single-site approximations. This work highlights the necessity of statistical treatments for realistic modeling of inverse catalysts.
subject: Articles
  topic: section
subject: site heterogeneity
  topic: keywords
subject: statistical modeling
  topic: keywords
subject: inverse catalyst
  topic: keywords
subject: ZrO2/Cu
  topic: keywords
subject: methanol synthesis
  topic: keywords
creator: Kenji Yamamoto
creator: Hiroshi Tanaka
creator: Yuki Sato
rights: Copyright (c) 2026 Kenji Yamamoto, Hiroshi Tanaka, Yuki Sato (Author) https://creativecommons.org/licenses/by-nc-sa/4.0
date: 2026-02-20
publication date: 2026-02-20
starting page: 91
ending page: 97
doi: 10.71465/fcmc706

Formate-Dominated Reaction Networks on ZrO2-Modified Cu Surfaces
type: item
description: Reaction pathway selection critically determines product distribution in CO2 hydrogenation. In this study, a comprehensive reaction network consisting of 41 elementary steps was constructed using density functional theory to compare formate- and CO-mediated pathways on ZrO2-decorated Cu surfaces. Energetic span analysis shows that ZrO2 modification reduces the energetic span of the formate route from 1.05 eV on Cu to 0.69 eV at the interface, while simultaneously increasing the barrier for CO formation. Microkinetic simulations predict methanol selectivities exceeding 75% across a temperature range of 500–540 K, in contrast to CO-dominated behavior on Cu. The analysis identifies hydrogenation of bidentate formate as the primary rate-determining step under industrially relevant pressures. These results clarify how inverse catalysts fundamentally reshape the reaction network to favor methanol formation.
subject: Articles
  topic: section
subject: formate pathway
  topic: keywords
subject: reaction network
  topic: keywords
subject: energetic span
  topic: keywords
subject: ZrO2/Cu
  topic: keywords
subject: CO2 hydrogenation
  topic: keywords
creator: Jean-Pierre Dubois
creator: Camille Laurent
creator: François Martin
rights: Copyright (c) 2026 Jean-Pierre Dubois, Camille Laurent, François Martin (Author) https://creativecommons.org/licenses/by-nc-sa/4.0
date: 2026-02-20
publication date: 2026-02-20
starting page: 83
ending page: 90
doi: 10.71465/fcmc705

Dual Activity of Ag-Doped TiO2 Gels and Osteoporotic Implant Interface Responses
type: item
description: The clinical longevity of orthopedic implants in osteoporotic patients is frequently compromised by two primary failure modalities: insufficient osseointegration due to low bone density and the development of implant-associated infections. This paper investigates the dual functional capability of silver-doped titanium dioxide (Ag-doped TiO2) sol-gel coatings to address these concurrent challenges. We synthesized nanostructured TiO2 gels with varying concentrations of silver ions to evaluate their physicochemical properties, antibacterial efficacy against Staphylococcus aureus, and osteogenic potential using osteoporotic animal models. The study focuses on the interfacial responses, specifically analyzing how the release kinetics of silver ions interact with the compromised biological environment typical of osteoporosis. Our results indicate that a controlled doping level achieves a critical balance, significantly reducing bacterial colonization through the release of reactive oxygen species while simultaneously preserving osteoblast viability and promoting mineralization. The surface topography modifications induced by the sol-gel process further enhance the mechanical interlocking at the bone-implant interface. These findings suggest that Ag-doped TiO2 gels represent a promising surface modification strategy for next-generation implants designed for patients with compromised bone quality.
subject: Articles
  topic: section
subject: Osteoporosis
  topic: keywords
subject: Titanium Dioxide
  topic: keywords
subject: Silver Doping
  topic: keywords
subject: Osseointegration
  topic: keywords
subject: Antibacterial
  topic: keywords
creator: Liam J. O'Connor
creator: Anastasia Smirnova
rights: Copyright (c) 2026 Liam J. O'Connor, Anastasia Smirnova (Author) https://creativecommons.org/licenses/by-sa/4.0
date: 2026-02-01
publication date: 2026-02-01
starting page: 75
ending page: 82
doi: 10.71465/fcmc699

PF-MD Coupled Model and Suppression Strategies for Lithium Dendrite Growth in Solid-State Batteries
type: item
description: The transition from liquid organic electrolytes to solid-state electrolytes offers a promising pathway toward high-energy-density lithium-metal batteries with enhanced safety profiles. However, the practical implementation of solid-state batteries is severely hindered by the pervasive issue of lithium dendrite growth, which leads to short circuits and mechanical degradation of the electrolyte. Traditional modeling approaches, relying solely on continuum mechanics or atomistic simulations, fail to capture the multiscale nature of dendrite propagation, which involves atomic-level interface kinetics and mesoscale morphological evolution. This paper presents a comprehensive multiscale framework coupling Molecular Dynamics simulations with Phase-Field modeling to investigate the mechanisms of lithium dendrite growth and evaluate effective suppression strategies. The Molecular Dynamics component determines the temperature-dependent transport properties and interfacial energies, which are subsequently integrated into the Phase-Field model to simulate microstructural evolution under varying electrochemical and mechanical conditions. Our results elucidate the critical role of grain boundary inhomogeneity and interfacial stress accumulation in promoting dendritic structures. Furthermore, we propose and validate suppression strategies, including the optimization of external stack pressure and the engineering of high-modulus artificial interlayers. The coupled model demonstrates that tailoring the mechanical properties of the solid electrolyte interphase can significantly retard dendrite velocity, providing theoretical guidance for the rational design of next-generation solid-state batteries.
subject: Articles
  topic: section
subject: Solid-State Batteries
  topic: keywords
subject: Lithium Dendrites
  topic: keywords
subject: Molecular Dynamics
  topic: keywords
subject: Phase-Field Modeling
  topic: keywords
creator: Do-Hyun Cho
creator: Arthur C. Clarke
creator: Elizabeth J. Swan
creator: Michael D. Ross
rights: Copyright (c) 2026 Do-Hyun Cho, Arthur C. Clarke, Elizabeth J. Swan, Michael D. Ross (Author) https://creativecommons.org/licenses/by-sa/4.0
date: 2026-02-20
publication date: 2026-02-20
starting page: 65
ending page: 74
doi: 10.71465/fcmc684

Research on the mechanism by which a high-fiber diet regulates the gut microbiota-bile acid metabolism axis and improves glucose metabolism
type: item
description: This study examined how a high-fiber diet affects the gut–bile-acid pathway and blood sugar control in mice with type 2 diabetes. Thirty-six male C57BL/6J mice were assigned to three groups: normal control, diabetic control, and high-fiber diet. After 12 weeks, bile acids, gene markers, and gut bacterial changes were tested. LC–MS/MS showed that total secondary bile acids increased by 62%, intestinal FXR expression dropped by 35%, and plasma FGF19 rose about two times compared with diabetic controls. Gut RNA data showed higher activity of bile-acid–related genes and more Faecalibacterium, which was strongly linked with dehydroxylation levels (r = 0.78, P < 0.01). These results show that a high-fiber diet changes bile-acid balance through gut bacteria and adjusts the FXR–FGF19 signal to support better glucose control. The findings suggest that adding dietary fiber may be a simple and safe way to improve metabolism in diabetes.
subject: Articles
  topic: section
subject: high-fiber diet
  topic: keywords
subject: bile acids
  topic: keywords
subject: gut bacteria
  topic: keywords
subject: FXR
  topic: keywords
subject: FGF19
  topic: keywords
subject: glucose control
  topic: keywords
subject: type 2 diabetes
  topic: keywords
creator: Wei Zhang
creator: Emily L. Carter
creator: Thomas J. Nguyen
rights: Copyright (c) 2025 https://creativecommons.org/licenses/by-nc-nd/4.0
date: 2025-12-30
publication date: 2025-12-30
starting page: 57
ending page: 64
doi: 10.71465/fcmc566

Correlating Electron Affinity with Redox Activity in Layered Birnessite
type: item
description: Birnessite is a layered manganese oxide used as an oxidant in water treatment, but the electronic factor that controls its reactivity is not well defined. We studied eleven natural and synthetic birnessites with different interlayer cations and Mn(III)/Mn(IV) ratios to test whether electron affinity (EA) governs oxidation. EA from ultraviolet photoelectron spectroscopy with optical-gap support was 5.56–6.06 eV. At pH 7.0 and 25 °C, Fe(II) and As(III) oxidation followed a pseudo-second-order model. The rate constant k2 rose from 0.0048 to 0.022 g mg⁻¹ min⁻¹ for Fe(II) and from 0.0026 to 0.015 g mg⁻¹ min⁻¹ for As(III) as EA increased, with an exponential fit R2=0.95. The apparent activation energy fell from 46±2 to 29±2 kJ mol⁻¹ across the same EA range. After five cycles, high-EA samples kept 81–87% of the initial rate, while low-EA samples kept 54–62%, in line with less MnOOH seen by XPS. These results show that electron affinity is a quantitative descriptor of oxidizing activity in birnessite and suggest that tuning interlayer chemistry, hydration, and defects can yield durable manganese-oxide catalysts for pollutant removal.
subject: Articles
  topic: section
subject: birnessite
  topic: keywords
subject: electron affinity
  topic: keywords
subject: oxidation kinetics
  topic: keywords
subject: manganese oxide
  topic: keywords
subject: activation energy
  topic: keywords
subject: surface passivation
  topic: keywords
subject: water treatment
  topic: keywords
creator: Thomas Nguyen
creator: Li Chen
creator: Emily Davis
rights: Copyright (c) 2025 https://creativecommons.org/licenses/by-nc-nd/4.0
date: 2025-12-30
publication date: 2025-12-30
starting page: 51
ending page: 56
doi: 10.71465/fcmc565

Neural Surrogate Modeling for Optical Coherence Tomography Reconstruction with Real-Time Constraints
type: item
description: Optical Coherence Tomography (OCT) has established itself as a paramount imaging modality in ophthalmology, cardiology, and dermatology, offering non-invasive, high-resolution cross-sectional visualization of biological tissues. However, the computational burden associated with high-fidelity image reconstruction—particularly when employing iterative Compressed Sensing (CS) algorithms or complex dispersion compensation techniques—often precludes real-time application in time-sensitive clinical environments such as intraoperative surgical guidance. This paper introduces a novel Neural Surrogate Modeling framework designed to approximate the complex inverse scattering physics of OCT reconstruction while strictly adhering to real-time latency constraints. By leveraging a hardware-aware deep learning architecture, specifically a lightweight Fourier-domain convolutional neural network optimized via neural architecture search, we successfully map raw interferometric data directly to structural images, bypassing the latency of traditional iterative solvers. We introduce a multi-objective loss function that balances structural fidelity, perceptual quality, and sparsity constraints. Furthermore, we provide a comprehensive analysis of model quantization and tensor acceleration techniques necessary to deploy these models on edge-computing devices. Our results demonstrate that the proposed neural surrogate achieves reconstruction quality competitive with state-of-the-art iterative methods (PSNR > 32 dB) while operating at inference speeds exceeding 150 frames per second on standard GPU hardware, effectively bridging the gap between high-fidelity imaging and real-time feedback loops.
subject: Articles
  topic: section
subject: Optical Coherence Tomography
  topic: keywords
subject: Neural Surrogate Models
  topic: keywords
subject: Real-Time Reconstruction
  topic: keywords
subject: Deep Learning
  topic: keywords
subject: Medical Imaging
  topic: keywords
creator: Margaret Wilson
rights: Copyright (c) 2025 https://creativecommons.org/licenses/by-nc-nd/4.0
date: 2025-12-30
publication date: 2025-12-30
starting page: 40
ending page: 50
doi: 10.71465/fcmc545

Generative Inverse Design of Intelligent Packaging Materials with Integrated Sensing Capabilities
type: item
description: The development of intelligent packaging materials with integrated sensing capabilities represents a paradigm shift from traditional passive packaging systems to dynamic, responsive materials that can monitor and communicate food quality, safety, and environmental conditions in real-time. This paper presents a comprehensive investigation of generative inverse design approaches for creating next-generation packaging materials that seamlessly integrate sensing functionalities with structural performance requirements. Through the application of machine learning algorithms, particularly Generative Adversarial Networks (GANs) and Variational Autoencoders (VAEs), we demonstrate how computational frameworks can accelerate the discovery of novel material compositions and microstructures that exhibit both superior mechanical properties and enhanced sensing capabilities. Our methodology combines multi-objective optimization techniques with physics-informed neural networks to navigate the complex design space of bio-based polymers, conductive fillers, and responsive elements. The results indicate that generative inverse design can successfully identify material candidates that achieve target conductivity values, mechanical strength parameters, and environmental responsiveness while maintaining biodegradability and food-contact safety requirements. This research establishes a foundation for automated materials discovery in intelligent packaging applications and provides insights into the fundamental relationships between material composition, processing conditions, and functional performance in smart packaging systems.
subject: Articles
  topic: section
subject: generative design
  topic: keywords
subject: inverse materials design
  topic: keywords
subject: intelligent packaging
  topic: keywords
subject: smart materials
  topic: keywords
subject: sensing capabilities
  topic: keywords
subject: machine learning
  topic: keywords
subject: bio-based polymers
  topic: keywords
subject: food packaging
  topic: keywords
creator: Sophia Allen
creator: Matthew Rivera
creator: Amanda Brooks
rights: Copyright (c) 2025 https://creativecommons.org/licenses/by-nc-nd/4.0
date: 2025-06-13
publication date: 2025-06-13
starting page: 25
ending page: 39
doi: 10.71465/fcmc369

Reinforcement Learning Strategies for Multi-Scale Geometric Representation in Molecular Property Prediction
type: item
description: Molecular property prediction represents a cornerstone of computational drug discovery, where accurate prediction of molecular properties from structural representations enables accelerated pharmaceutical development and reduced experimental costs. Traditional approaches rely on hand-crafted molecular descriptors or simple graph representations that fail to capture the rich multi-scale geometric information inherent in molecular structures. This paper presents a novel framework that integrates Reinforcement Learning (RL) strategies with multi-scale geometric representations for enhanced molecular property prediction. The proposed Multi-Scale Geometric Reinforcement Learning (MSGRL) framework combines graph neural networks operating at different geometric scales with adaptive reinforcement learning agents that learn optimal feature extraction strategies. Our approach employs a hierarchical representation scheme that captures molecular information from irregular geometric manifolds to structured numerical encodings, while reinforcement learning agents dynamically adjust the importance weights of different representation modalities based on prediction performance feedback. The framework addresses key challenges including geometric data irregularity, multi-modal representation integration, and adaptive learning across diverse molecular property types. Experimental evaluation across diverse molecular property prediction tasks demonstrates significant improvements over state-of-the-art approaches, with performance gains comparable to the best D-MPNN Features across benchmark datasets including QM9, ESOL, FreeSolv, Tox21, and BBBP. The adaptive nature of the reinforcement learning component enables the framework to automatically discover optimal geometric representation strategies for different molecular property types, eliminating the need for manual feature engineering while providing interpretable insights into structure-property relationships.
subject: Articles
  topic: section
subject: Reinforcement Learning
  topic: keywords
subject: Molecular Property Prediction
  topic: keywords
subject: Geometric Deep Learning
  topic: keywords
subject: Graph Neural Networks
  topic: keywords
subject: Multi-Scale Representation
  topic: keywords
subject: Drug Discovery
  topic: keywords
creator: Kevin Johnson
creator: Aisha Khan
creator: Thomas Wu
rights: Copyright (c) 2025 Kevin Johnson , Aisha Khan , Thomas Wu (Author) https://creativecommons.org/licenses/by-nc-nd/4.0
date: 2025-09-19
publication date: 2025-09-19
starting page: 10
ending page: 24
doi: 10.71465/fcmc355

Machine Learning for Predicting Performance and Degradability of Bio-Based Food Packaging
type: item
description: As global demand for sustainable food packaging intensifies, bio-based materials have emerged as promising alternatives to petroleum-derived plastics. However, their adoption at industrial scale is hindered by inconsistencies in mechanical performance, barrier properties, and biodegradability under varying environmental conditions. This study proposes a machine learning (ML)-based framework to predict the performance and environmental behavior of bio-based food packaging materials based on their composition, processing parameters, and environmental variables. Multiple ML algorithms, including Random Forest (RF), Support Vector Regression (SVR), and Artificial Neural Networks (ANN), were trained using experimental datasets derived from published studies and lab-generated data. Key target variables included tensile strength, water vapor transmission rate (WVTR), oxygen permeability, and biodegradation time. Results demonstrate that ensemble models such as RF provided high prediction accuracy and interpretability, enabling efficient material screening and optimization. The study highlights the potential of data-driven tools to accelerate the development of eco-friendly packaging solutions with tailored properties, reducing trial-and-error experimentation and promoting circular economy objectives.
subject: Articles
  topic: section
subject: Machine Learning
  topic: keywords
subject: Bio-Based Packaging
  topic: keywords
subject: Predictive Modeling
  topic: keywords
subject: Degradability
  topic: keywords
subject: Barrier Properties
  topic: keywords
subject: Sustainable Materials
  topic: keywords
subject: Food Packaging
  topic: keywords
subject: Random Forest
  topic: keywords
subject: Material Informatics
  topic: keywords
creator: Sofia Lindberg
creator: Erik Hansen
rights: Copyright (c) 2025 https://creativecommons.org/licenses/by-nc-nd/4.0
date: 2025-06-13
publication date: 2025-06-13
starting page: 1
ending page: 9
doi: 10.71465/fcmc277

Photocatalytic Degradation of Environmental Pollutants: Advances in Material Design
type: item
description: Photocatalytic degradation of environmental pollutants has emerged as a promising technology for addressing the growing concerns of pollution and environmental sustainability. This review focuses on recent advancements in material design for photocatalytic processes, highlighting new materials, innovative design strategies, and their effectiveness in degrading a range of pollutants. Advances in semiconductor photocatalysts, including titanium dioxide (TiO₂), zinc oxide (ZnO), and novel composite materials, are discussed in terms of their photocatalytic activity, stability, and practical applications. The integration of nanotechnology and surface modifications has significantly enhanced the efficiency of photocatalytic systems. This paper provides a comprehensive overview of the current state of research, challenges, and future directions for improving photocatalytic materials to achieve effective and sustainable environmental remediation.
subject: Articles
  topic: section
subject: Photocatalysis
  topic: keywords
subject: Environmental Pollutants
  topic: keywords
subject: Material Design
  topic: keywords
subject: Semiconductor Photocatalysts
  topic: keywords
subject: Titanium Dioxide
  topic: keywords
subject: Zinc Oxide
  topic: keywords
subject: Nanotechnology
  topic: keywords
subject: Composite Materials
  topic: keywords
subject: Environmental Remediation
  topic: keywords
subject: Sustainability
  topic: keywords
creator: Dr. Sana Tariq
rights: Copyright (c) 2024 Frontiers in Chemistry, Materials and Catalysis
date: 2024-12-31
publication date: 2024-12-31
starting page: 262
ending page: 279
doi: 10.71465/fcmc96

Single-Atom Catalysts: Precision in Catalysis for Chemical Transformations
type: item
description: Single-atom catalysts (SACs) represent a transformative approach in catalytic science, offering unparalleled precision and efficiency in chemical transformations. By isolating catalytic metal atoms within a support matrix, SACs achieve high selectivity and activity that traditional catalysts often lack. This paper explores the fundamental principles underlying SACs, their synthesis methods, and their applications across various chemical reactions. We highlight recent advances in SAC technology and discuss the impact of SACs on sustainable chemistry. The review provides a critical analysis of the challenges and opportunities associated with SACs, aiming to offer insights into their future developments.
subject: Articles
  topic: section
subject: Single-Atom Catalysts
  topic: keywords
subject: Precision Catalysis
  topic: keywords
subject: Chemical Transformations
  topic: keywords
subject: Catalyst Design
  topic: keywords
subject: Sustainable Chemistry
  topic: keywords
subject: Metal-Atom Catalysts
  topic: keywords
subject: Catalyst Support
  topic: keywords
subject: Catalytic Efficiency
  topic: keywords
subject: Reaction Selectivity
  topic: keywords
subject: Nanocatalysis
  topic: keywords
creator: Dr. Bilal Ahmed
rights: Copyright (c) 2024 Frontiers in Chemistry, Materials and Catalysis
date: 2024-12-31
publication date: 2024-12-31
starting page: 238
ending page: 261
doi: 10.71465/fcmc95

Understanding Catalyst Deactivation: Mechanisms and Materials Solutions
type: item
description: Catalyst deactivation poses significant challenges in industrial catalytic processes, impacting efficiency and economic viability. This paper provides a comprehensive review of catalyst deactivation mechanisms, including poisoning, fouling, sintering, and thermal degradation. We explore material solutions aimed at mitigating these issues, emphasizing advancements in catalyst design, support materials, and regeneration techniques. By examining recent research and developments, this paper highlights the strategies to enhance catalyst longevity and performance. The insights presented are intended to guide the development of more robust catalysts and improve the sustainability of catalytic processes.
subject: Articles
  topic: section
subject: Catalyst Deactivation
  topic: keywords
subject: Catalyst Poisoning
  topic: keywords
subject: Fouling
  topic: keywords
subject: Sintering
  topic: keywords
subject: Thermal Degradation
  topic: keywords
subject: Catalyst Design
  topic: keywords
subject: Support Materials
  topic: keywords
subject: Regeneration Techniques
  topic: keywords
subject: Industrial Catalysis
  topic: keywords
subject: Materials Science
  topic: keywords
creator: Dr. Amina Shahid
rights: Copyright (c) 2024 Frontiers in Chemistry, Materials and Catalysis
date: 2024-12-31
publication date: 2024-12-31
starting page: 221
ending page: 237
doi: 10.71465/fcmc94

Carbon-Based Catalysts: Graphene and Beyond in Modern Catalytic Applications
type: item
description: Carbon-based catalysts, particularly graphene and its derivatives, have emerged as revolutionary materials in the field of catalysis due to their unique structural, electronic, and chemical properties. This paper provides a comprehensive review of recent advancements in the use of graphene and other carbon-based materials in catalytic applications. We explore the synthesis, modification, and functionalization of these catalysts, their performance in various reactions, and their potential for future innovations. By examining case studies and recent developments, we highlight the role of carbon-based catalysts in enhancing reaction efficiency, selectivity, and sustainability across multiple domains, including energy conversion, environmental remediation, and chemical synthesis.
subject: Articles
  topic: section
subject: Graphene
  topic: keywords
subject: Carbon-based Catalysts
  topic: keywords
subject: Catalysis, Energy Conversion
  topic: keywords
subject: Environmental Remediation
  topic: keywords
subject: Chemical Synthesis
  topic: keywords
subject: Nanomaterials
  topic: keywords
subject: Catalyst Modification
  topic: keywords
subject: Reaction Efficiency
  topic: keywords
subject: Sustainable Chemistry
  topic: keywords
creator: Dr. Asma N. Khan
rights: Copyright (c) 2024 Frontiers in Chemistry, Materials and Catalysis
date: 2024-12-31
publication date: 2024-12-31
starting page: 203
ending page: 220
doi: 10.71465/fcmc93

Metal-Free Catalysts: Expanding the Horizons of Organic and Sustainable Chemistry
type: item
description: Metal-free catalysts have emerged as a pivotal advancement in the field of organic chemistry, offering an environmentally friendly alternative to traditional metal-based catalysts. This article explores the development, applications, and advantages of metal-free catalysts in various chemical reactions. By focusing on their roles in sustainable chemistry, we highlight their potential in reducing toxic waste, improving reaction efficiencies, and expanding the scope of organic synthesis. Key areas of application, including cross-coupling reactions, oxidation, and reduction processes, are examined. The review also addresses challenges and future directions for metal-free catalysis, emphasizing the need for continued innovation in this rapidly evolving field.
subject: Articles
  topic: section
subject: Metal-Free Catalysts
  topic: keywords
subject: Organic Chemistry
  topic: keywords
subject: Sustainable Chemistry
  topic: keywords
subject: Catalysis
  topic: keywords
subject: Reaction Efficiency
  topic: keywords
subject: Environmental Impact
  topic: keywords
subject: Catalytic Mechanisms
  topic: keywords
subject: Organic Synthesis
  topic: keywords
subject: Environmental Sustainability
  topic: keywords
subject: Catalytic Reactions
  topic: keywords
creator: Dr. Imran Ahmed
rights: Copyright (c) 2024 Frontiers in Chemistry, Materials and Catalysis
date: 2024-12-31
publication date: 2024-12-31
starting page: 183
ending page: 202
doi: 10.71465/fcmc92

High-Throughput Screening Methods for Catalyst Development: Bridging Experimentation and Theory
type: item
description: High-throughput screening (HTS) methods have revolutionized catalyst development by enabling rapid and efficient evaluation of numerous candidates. This paper reviews the integration of HTS techniques with theoretical approaches to enhance catalyst discovery and optimization. It explores the advancements in experimental HTS technologies, the role of computational models in predicting catalytic performance, and the synergy between experimental and theoretical methods. By bridging these methodologies, researchers can accelerate the development of catalysts with improved activity, selectivity, and stability. The paper highlights case studies, discusses challenges, and provides future perspectives on the role of HTS in advancing catalyst research.
subject: Articles
  topic: section
subject: High-Throughput Screening (HTS),
  topic: keywords
subject: Catalyst Development
  topic: keywords
subject: Computational Modeling
  topic: keywords
subject: Experimental Techniques
  topic: keywords
subject: Catalytic Performance
  topic: keywords
subject: Discovery and Optimization
  topic: keywords
subject: Synergy of Experimentation and Theory
  topic: keywords
subject: Advanced Screening Technologies
  topic: keywords
subject: Reaction Mechanisms
  topic: keywords
subject: Materials Science
  topic: keywords
creator: Dr. Fatima Baloch
rights: Copyright (c) 2024 Frontiers in Chemistry, Materials and Catalysis
date: 2024-12-31
publication date: 2024-12-31
starting page: 167
ending page: 182
doi: 10.71465/fcmc91

Designing Electrocatalysts for Water Splitting: Innovations in Sustainable Energy Production
type: item
description: Electrocatalysis for water splitting has emerged as a pivotal technology for sustainable hydrogen production, crucial for advancing renewable energy systems. This article reviews recent innovations in designing electrocatalysts to enhance the efficiency and economic viability of water splitting processes. We discuss the latest materials and methods used in the development of electrocatalysts, including novel metal-based and non-metal-based catalysts, composite materials, and advanced fabrication techniques. The review also explores the challenges in scaling up these technologies and their integration into practical energy systems. By synthesizing current research, this article provides insights into future directions and potential breakthroughs in the field.
subject: Articles
  topic: section
subject: Electrocatalysts
  topic: keywords
subject: , Water Splitting
  topic: keywords
subject: Hydrogen Production
  topic: keywords
subject: Sustainable Energy
  topic: keywords
subject: Renewable Energy Technologies
  topic: keywords
subject: Metal-Based Catalysts
  topic: keywords
subject: Non-Metal-Based Catalysts
  topic: keywords
subject: Composite Materials
  topic: keywords
subject: Fabrication Techniques
  topic: keywords
subject: Energy Efficiency
  topic: keywords
creator: Dr. Ayesha Ali
rights: Copyright (c) 2024 Frontiers in Chemistry, Materials and Catalysis
date: 2024-12-31
publication date: 2024-12-31
starting page: 154
ending page: 166
doi: 10.71465/fcmc90

Catalytic Conversion of Biomass to Value-Added Chemicals: A Materials Perspective
type: item
description: The catalytic conversion of biomass into value-added chemicals represents a promising approach to sustainable chemical production. This paper provides a comprehensive review of recent advancements in catalytic processes for biomass conversion, focusing on the role of various materials in enhancing efficiency and selectivity. We discuss the different types of catalysts, including heterogeneous, homogeneous, and biocatalysts, and their applications in converting biomass into useful chemicals such as biofuels, biopolymers, and specialty chemicals. The review highlights the challenges and opportunities in material selection, catalytic activity, stability, and economic feasibility. By integrating insights from material science and chemical engineering, this paper aims to provide a holistic perspective on the future directions for optimizing biomass conversion technologies.
subject: Articles
  topic: section
subject: Catalytic conversion
  topic: keywords
subject: biomass
  topic: keywords
subject: value-added chemicals
  topic: keywords
subject: materials science
  topic: keywords
subject: heterogeneous catalysts
  topic: keywords
subject: homogeneous catalysts
  topic: keywords
subject: biocatalysts
  topic: keywords
subject: biofuels
  topic: keywords
subject: biopolymers
  topic: keywords
subject: chemical engineering
  topic: keywords
creator: Dr. Aisha Khan
rights: Copyright (c) 2024 Frontiers in Chemistry, Materials and Catalysis
date: 2024-12-31
publication date: 2024-12-31
starting page: 137
ending page: 153
doi: 10.71465/fcmc89

Recent Developments in Polymer-Based Catalytic Materials: Structure and Functionality
type: item
description: Recent advancements in polymer-based catalytic materials have shown significant promise in enhancing catalytic processes across various industrial applications. These developments focus on optimizing the structure and functionality of polymers to improve catalytic efficiency, selectivity, and stability. This paper reviews recent innovations in polymer-based catalysts, highlighting new polymerization techniques, structural modifications, and their implications for catalytic performance. Key areas include the design of novel polymeric supports, incorporation of active catalytic sites, and integration with emerging technologies. The review also explores the challenges and future directions in the development of these materials.
subject: Articles
  topic: section
subject: Polymer-Based Catalysts
  topic: keywords
subject: Catalytic Materials
  topic: keywords
subject: Polymerization Techniques
  topic: keywords
subject: Catalytic Efficiency
  topic: keywords
subject: Structural Modifications
  topic: keywords
subject: Active Sites
  topic: keywords
subject: Emerging Technologies
  topic: keywords
subject: Polymer Supports
  topic: keywords
subject: Stability
  topic: keywords
subject: Industrial Applications
  topic: keywords
creator: Dr. Muhammad Tariq
rights: Copyright (c) 2024 Frontiers in Chemistry, Materials and Catalysis
date: 2024-06-30
publication date: 2024-06-30
starting page: 123
ending page: 136
doi: 10.71465/fcmc88

Perovskite Materials in Photocatalysis: Harnessing Solar Energy for Chemical Reactions
type: item
description: Perovskite materials have garnered significant attention in the field of photocatalysis due to their exceptional optical and electronic properties. These materials, characterized by their unique crystal structures, offer a promising platform for harnessing solar energy to drive chemical reactions. This review explores the advancements in perovskite photocatalysts, focusing on their synthesis, properties, and applications. We discuss various strategies to enhance their photocatalytic efficiency, including modifications to their composition and structure. Additionally, the challenges associated with stability and scalability are addressed. This paper aims to provide a comprehensive overview of the current state of perovskite photocatalysts and their potential in advancing solar-driven chemical processes.
subject: Articles
  topic: section
subject: Perovskite Materials
  topic: keywords
subject: Photocatalysis
  topic: keywords
subject: Solar Energy
  topic: keywords
subject: Chemical Reactions
  topic: keywords
subject: Photocatalytic Efficiency
  topic: keywords
subject: Synthesis
  topic: keywords
subject: Stability
  topic: keywords
subject: Scalability
  topic: keywords
creator: Dr. Sameera Khan
rights: Copyright (c) 2024 Frontiers in Chemistry, Materials and Catalysis
date: 2024-06-30
publication date: 2024-06-30
starting page: 106
ending page: 122
doi: 10.71465/fcmc87

Biocatalysis and Enzyme Engineering: Pioneering Green Chemical Transformations
type: item
description: Biocatalysis and enzyme engineering represent transformative approaches in green chemistry, offering sustainable alternatives to traditional chemical processes. This paper explores the advancements in biocatalysis and enzyme engineering, focusing on their applications in green chemical transformations. We review recent developments in enzyme design, optimization, and industrial applications, highlighting how these innovations contribute to reducing environmental impact and improving process efficiency. The paper also examines case studies where biocatalysis has led to significant breakthroughs in areas such as pharmaceuticals, agriculture, and environmental remediation. By leveraging the unique properties of enzymes and employing advanced engineering techniques, this research underscores the potential of biocatalysis to drive forward sustainable chemical practices.
subject: Articles
  topic: section
subject: Biocatalysis
  topic: keywords
subject: Enzyme Engineering
  topic: keywords
subject: Green Chemistry
  topic: keywords
subject: Sustainable Chemical Processes
  topic: keywords
subject: Enzyme Design
  topic: keywords
subject: Industrial Applications
  topic: keywords
subject: Environmental Remediation
  topic: keywords
subject: Pharmaceuticals
  topic: keywords
subject: Agricultural Biotechnology
  topic: keywords
subject: Process Optimization
  topic: keywords
creator: Dr. Ayesha Khan
rights: Copyright (c) 2024 Frontiers in Chemistry, Materials and Catalysis
date: 2024-06-30
publication date: 2024-06-30
starting page: 88
ending page: 105
doi: 10.71465/fcmc86

Heterogeneous Catalysis: Innovations in Material Synthesis and Applications
type: item
description: Heterogeneous catalysis remains a cornerstone of industrial and environmental chemistry, providing critical advancements in the synthesis and application of catalytic materials. This article explores recent innovations in the field, focusing on novel material synthesis techniques and their diverse applications. We review recent developments in catalyst design, including the use of nanomaterials, metal-organic frameworks, and hybrid composites. Advances in characterization techniques and their implications for understanding catalytic mechanisms are also discussed. The impact of these innovations on various industrial processes, from petrochemical refining to environmental remediation, is highlighted, offering insights into future directions for research and development.
subject: Articles
  topic: section
subject: Heterogeneous Catalysis
  topic: keywords
subject: Material Synthesis
  topic: keywords
subject: Nanomaterials
  topic: keywords
subject: Metal-Organic Frameworks
  topic: keywords
subject: Catalytic Applications
  topic: keywords
subject: Characterization Techniques
  topic: keywords
subject: Industrial Processes
  topic: keywords
subject: Environmental Remediation
  topic: keywords
subject: Catalyst Design
  topic: keywords
subject: Hybrid Composites
  topic: keywords
creator: Dr. Farhan Ahmed
rights: Copyright (c) 2024 Frontiers in Chemistry, Materials and Catalysis
date: 2024-06-30
publication date: 2024-06-30
starting page: 66
ending page: 87
doi: 10.71465/fcmc85

Metal-Organic Frameworks (MOFs) in Catalysis: Bridging Chemistry and Material Science
type: item
description: Metal-Organic Frameworks (MOFs) represent a class of porous materials formed by the coordination of metal ions or clusters with organic ligands, creating a network structure with high surface areas and tunable properties. Their unique structural features and versatile chemical functionalities make them promising candidates for various catalytic applications. This paper explores the role of MOFs in catalysis, focusing on their synthesis, structural diversity, and catalytic performance. We discuss the mechanisms by which MOFs enhance catalytic reactions, including their ability to act as heterogeneous catalysts and their applications in organic transformations, environmental remediation, and energy conversion. The integration of MOFs with emerging technologies and the future prospects of MOF-based catalytic systems are also addressed.
subject: Articles
  topic: section
subject: Metal-Organic Frameworks (MOFs)
  topic: keywords
subject: Catalysis
  topic: keywords
subject: Heterogeneous Catalysts
  topic: keywords
subject: Organic Transformations
  topic: keywords
subject: Environmental Remediation
  topic: keywords
subject: Energy Conversion
  topic: keywords
subject: Coordination Chemistry
  topic: keywords
subject: Porous Materials
  topic: keywords
subject: Catalytic Performance
  topic: keywords
subject: Synthesis of MOFs
  topic: keywords
creator: Dr. Ahmed Ali
rights: Copyright (c) 2024 Frontiers in Chemistry, Materials and Catalysis
date: 2024-06-30
publication date: 2024-06-30
starting page: 39
ending page: 65
doi: 10.71465/fcmc84

Green Chemistry Approaches in Catalytic Material Design: Sustainable Solutions
type: item
description: Green chemistry offers innovative approaches to material design that promote environmental sustainability while enhancing catalytic performance. This paper explores the integration of green chemistry principles into the design and development of catalytic materials, focusing on methods that reduce waste, utilize safer chemicals, and improve efficiency. We review recent advancements in sustainable catalytic materials, including the use of renewable resources, environmentally benign synthesis methods, and the development of efficient, reusable catalysts. The paper highlights key examples of green chemistry in action, discusses the impact on various industries, and outlines future directions for research in sustainable catalytic material design.
subject: Articles
  topic: section
subject: Green Chemistry
  topic: keywords
subject: Catalytic Materials
  topic: keywords
subject: Sustainable Design
  topic: keywords
subject: Renewable Resources
  topic: keywords
subject: Environmentally Benign Synthesis
  topic: keywords
subject: Efficient Catalysts
  topic: keywords
subject: Waste Reduction
  topic: keywords
subject: Reusable Catalysts
  topic: keywords
subject: Sustainable Solutions
  topic: keywords
subject: Environmental Impact
  topic: keywords
creator: Dr. Sarah B. Ali
rights: Copyright (c) 2024 Frontiers in Chemistry, Materials and Catalysis
date: 2024-06-30
publication date: 2024-06-30
starting page: 22
ending page: 38
doi: 10.71465/fcmc83

Advances in Nanocatalysis: Enhancing Efficiency in Chemical Reactions
type: item
description: Nanocatalysis has emerged as a transformative field, significantly enhancing the efficiency and selectivity of chemical reactions. This article reviews recent advancements in nanocatalysis, focusing on the development of novel nanocatalysts, their synthesis, and their applications in various chemical processes. We discuss the impact of nanocatalysis on reaction kinetics, product yield, and environmental sustainability. Innovations in nanocatalyst design, including the use of core-shell structures, hybrid materials, and support materials, are explored. The review also addresses challenges and future directions in the field, emphasizing the need for more efficient and cost-effective nanocatalysts.
subject: Articles
  topic: section
subject: Nanocatalysis
  topic: keywords
subject: Chemical Reactions
  topic: keywords
subject: Nanocatalysts
  topic: keywords
subject: Reaction Efficiency
  topic: keywords
subject: Nanomaterials
  topic: keywords
subject: Catalytic Mechanisms
  topic: keywords
subject: Environmental Sustainability
  topic: keywords
subject: Nanocatalyst Synthesis
  topic: keywords
subject: Hybrid Materials
  topic: keywords
subject: Core-Shell Structures
  topic: keywords
creator: Dr. Tariq Ali
rights: Copyright (c) 2024 Frontiers in Chemistry, Materials and Catalysis
date: 2024-06-30
publication date: 2024-06-30
starting page: 1
ending page: 21
doi: 10.71465/fcmc82