Calculations and simulations of low-dimensional materials : tailoring properties for applications / / Ying Dai [and three others]

• Record Nr.: UNINA9910830116103321
• Autore: Dai Ying
• Pubbl/distr/stampa: Weinheim, Germany : , : Wiley-VCH, , [2023]; ©2023
• ISBN: 3-527-83213-0; 3-527-83212-2; 3-527-83211-4
• Descrizione fisica: 1 online resource (259 pages)
• Disciplina: 662.2
• Soggetti: Materials science
• Lingua di pubblicazione: Inglese
• Formato: Materiale a stampa
• Livello bibliografico: Monografia
• Nota di bibliografia: Includes bibliographical references and index.
• Nota di contenuto: Cover -- Title Page -- Copyright -- Contents -- Preface -- Chapter 1 An Introduction to Density Functional Theory (DFT) and Derivatives -- 1.1 The Problem of a N‐electron System -- 1.2 The Thomas-Fermi Theory for Electron Density -- 1.3 The First Hohenberg-Kohn Theorem -- 1.4 The Second Hohenberg-Kohn Theorem -- 1.5 The Kohn-Sham Equations -- 1.6 The Local Density Approximation (LDA) -- 1.7 The Generalized Gradient Approximation (GGA) -- 1.8 The LDA+U Method -- 1.9 The Heyd-Scuseria-Ernzerhof Density Functional -- 1.9.1 Introduction to Tight‐Binding Approximation -- 1.9.2 Matrix Elements of Tight‐Binding Hamiltonian -- 1.9.3 Matrix Elements with the Help of Wannier Function -- 1.9.4 Example for a Graphene Model -- 1.10 Introduction to k ⋅ p Perturbation Theory -- 1.10.1 Solution for Non‐degenerate Bands -- 1.10.2 Solution for Degenerate Bands -- 1.10.3 Explicit Hamiltonian of k ⋅ p Perturbation Theory -- References -- Chapter 2 New Physical Effects Based on Band Structure -- 2.1 Valley Physics -- 2.1.1 Spontaneous Valley Polarization -- 2.1.2 Valley Polarization by Foreign Atom Doping -- 2.1.3 Valley Polarization in van der Waals Heterostructures -- 2.2 Rashba Effects -- References -- Chapter 3 Ferromagnetic Order in Two‐ and One‐Dimensional Materials -- 3.1 Intrinsic Ferromagnetic Order in 2D Materials -- 3.2 Intrinsic Ferromagnetic Order in 1D Molecular Nanowires -- References -- ; Chapter 4 Two‐Dimensional Topological States -- 4.1 Topological Insulators -- 4.1.1 Graphene -- 4.1.2 HgTe/CdTe Quantum Wells -- 4.1.3 Z2 Invariant and Spin Chern Number -- 4.1.4 Large Gap Quantum Spin Hall Insulators -- 4.2 Topological Crystalline Insulators -- 4.2.1 SnTe Thin Films -- 4.2.2 IV-VI Monolayers -- 4.2.3 Topological Phase Transition Between 2D TCI and TI -- 4.2.4 Dual Topological Insulator -- 4.2.5 TCI in 2D Ferromagnets.; 4.3 Quantum Anomalous Hall Effect -- 4.4 Antiferromagnetic Topological Insulators -- 4.5 Mixed Topological Semimetals -- References -- Chapter 5 Calculation of Excited‐State Properties -- 5.1 Green's Function Many‐Body Perturbation Theory -- 5.2 Excitonic Effects and Band Gap Renormalization in Two‐Dimensional Materials -- 5.3 Electron-Phonon Effects on the Excited‐state Properties -- 5.4 Nonlinear Optical Response -- 5.5 Optical Properties of van der Waals Heterostructures of Two‐Dimensional Materials -- References -- Chapter 6 Charge Carrier Dynamics from Simulations -- 6.1 Time‐Dependent Density Functional Theory and Nonadiabatic Molecular Dynamics -- 6.2 Applications of TDDFT and NAMD in Two‐Dimensional Materials -- References -- Chapter 7 Simulations for Photocatalytic Materials -- 7.1 Photocatalysis and Photocatalytic Reactions -- 7.2 Photoresponsivity and Photocurrent from Simulations -- 7.3 Simulation for Localized Surface Plasmon Resonance -- References -- Chapter 8 Simulations for Electrochemical Reactions -- 8.1 Single‐atom Catalysts -- 8.2 Stability of Catalyst -- 8.3 Electrochemical Reactions -- 8.3.1 Hydrogen Evolution Reaction (HER) -- 8.3.2 Oxygen Evolution Reaction (OER) -- 8.3.3 Oxygen Reduction Reaction (ORR) -- 8.3.4 Nitrogen Reduction Reaction (NRR) -- 8.3.5 Electrocatalytic Activity Evaluated from the First‐principles Calculations -- 8.3.6 Simulations for Nitrogen Reduction Reaction -- References -- Index -- EULA.

Pathways to excessive gambling : a societal perspective on youth and adult gambling pursuits / / by Charlotte Fabiansson

• Record Nr.: UNINA9910970701603321
• Autore: Fabiansson Charlotte
• Pubbl/distr/stampa: Burlington, VT, : Ashgate, 2010
• ISBN: 1-315-59968-6; 1-317-08329-6; 1-317-08328-8; 1-282-57557-0; 9786612575570; 1-4094-0432-3
• Edizione: [1st ed.]
• Descrizione fisica: 1 online resource (242 p.)
• Disciplina: 363.4/2
• Soggetti: Gambling; Gambling - Social aspects
• Lingua di pubblicazione: Inglese
• Formato: Materiale a stampa
• Livello bibliografico: Monografia
• Note generali: Description based upon print version of record.
• Nota di bibliografia: Includes bibliographical references and index.
• Nota di contenuto: Cover; Contents; List of Figures; List of Tables; Acknowledgements; 1 Introduction; 2 Gambling Research and Gambling as a Recreational Pursuit; 3 Global Gambling and Regulation of Gambling; 4 Gambling in Australia; 5 Youth Gambling; 6 Adults' Excessive Gambling Pathways; 7 Concluding Discussion; 8 Has Gambling Research a Future?; List of References; Index
• Sommario/riassunto: Pathways to Excessive Gambling draws upon extensive empirical research amongst young people and problem gamblers in Australia and compares it with situations in other territories to shed light on social, recreational gambling and the ways in which this can lead to excessive gambling. The results will be significant to social scientists with interests in gambling, young people, social problems, and the sociology of leisure and culture.