Electrocatalytic Materials for Renewable Energy

• Autore: Shukla Sudheesh K
• Pubblicazione: Newark : , : John Wiley & Sons, Incorporated, , 2024; ©2024
• Edizione: 1st ed.
• Descrizione fisica: 1 online resource (419 pages)
• Soggetto topico: Materials science; Renewable energy sources
• Altri autori: HussainChaudhery Mustansar PatraSantanu ChoudharyMeenakshi
• Nota di contenuto: Cover -- Title Page -- Copyright Page -- Contents -- Preface -- Chapter 1 An Introduction to the Exploration of the Electronic Structure Properties of Biologically Active Natural Compounds Using Quantum Chemical Methods -- 1.1 Natural Compounds: Past, Present, and Future -- 1.2 Theoretical Framework for Quantum Chemical Calculations -- 1.2.1 Ab-Initio Methods -- 1.2.1.1 Hartree–Fock (HF) Theory -- 1.2.1.2 Moller–Plesset (MP) Perturbation Theory -- 1.2.1.3 Configuration Interaction (CI) Method -- 1.2.1.4 Coupled Cluster Method (CCM) -- 1.2.2 Semiempirical Methods -- 1.2.3 Molecular Mechanics -- 1.2.4 Molecular Dynamics -- 1.2.5 Density Functional Theory (DFT) -- 1.3 Theoretical Framework for Biological Activity -- 1.3.1 Quantitative Structure–Activity Relationship (QSAR) -- 1.3.2 Quantitative Structure–Property Relationship (QSPR) -- 1.3.3 Molecular Docking -- 1.4 Future Scope -- References -- Chapter 2 Facile Synthesis of Hybrid Fe3O4/ZnO Nanosphere Composites and Their Potential Applications in Dye-Sensitized Solar Cells -- 2.1 Introduction -- 2.2 Materials and Methods -- 2.2.1 Materials -- 2.2.2 Photocatalyst Synthesis Methods -- 2.2.3 Prepared Sample Characterization -- 2.3 Results and Discussion
• Sommario/riassunto: This book, 'Materials for Renewable Energy,' edited by Sudheesh K. Shukla and others, explores advancements in materials science for renewable energy applications. It covers topics like the synthesis and application of nanomaterials, hybrid heat pipes, and metal oxide-based catalysts in renewable energy technologies. The book provides a comprehensive overview of the electronic properties of biologically active compounds using quantum chemical methods, as well as the role of conductive metal-organic frameworks (MOFs) in energy applications. It is intended for researchers and professionals in chemical engineering and environmental sciences, aiming to enhance the development of sustainable energy solutions.
• Titolo autorizzato: Electrocatalytic Materials for Renewable Energy
• ISBN: 1-119-90131-6; 1-119-90130-8
• Formato: Materiale a stampa
• Livello bibliografico: Monografia
• Lingua di pubblicazione: Inglese
• Record Nr.: 9910877098203321
• Lo trovi qui: Univ. Federico II