Calculations and simulations of low-dimensional materials : tailoring properties for applications /: tailoring properties for applications. (2022)
- Record Type:
- Book
- Title:
- Calculations and simulations of low-dimensional materials : tailoring properties for applications /: tailoring properties for applications. (2022)
- Main Title:
- Calculations and simulations of low-dimensional materials : tailoring properties for applications
- Further Information:
- Note: Ying Dai, Wei Wei, Yandong Ma, Chengwang Niu.
- Authors:
- Dai, Ying
Wei, Wei
Ma, Yandong
Niu, Chengwang - Contents:
- 1. THEORY AND METHODS; 1.1 An Introduction to Density Functional Theory (DFT) and Derivatives; 1.2 The kp Model and Tight-Binding Approach; 1.3 Green`s Function Many-Body Perturbation Theory; 1.3.1 GW Approximation; 1.3.2 GW and Bethe-Salpeter Equation; 1.4 Time-Dependent Density Functional Theory (TDDFT) and Nonadiabatic Molecular Dynamics (NAMD); ; 2. NEW PHYSICAL EFFECTS BASED ON BAND STRUCTURE; 2.1 Valley-Contrasting Physics; 2.1.1 Intrinsic Valley Polarization; 2.1.2 Valley Polarization by Foreigner Atom Doping; 2.1.3 Valleytronics in van der Walls Heterostructures; 2.2 Rashba Effects; 2.3 Ferromagnetic Order in Two- and One-Dimensional Materials; 2.3.1 Two-Dimensional Materials; 2.3.2 One-Dimensional Materials; 2.4 Interline States in Two-Dimensional Material; ; 3. MANY-BODY EFFECTS IN LOW-DIMENSIONAL MATERIALS; 3.1 Electron-Electron Self-Energy Interaction and Bang Gap Renormalization; 3.2 Electron-Hole Excitonic Effects and Absorption; 3.3 Electron-Phonon Coupling; 3.4 Interlayer Exciton and Valley-Dependent Optical Selection Rule; ; 4. PHOTOEXCITED CHARGE CARRIER DYNAMICS AND TRANSPORT; 4.1 Charge Separation; 4.2 Charge Recombination; 4.3 Light-Electricity Conversion; ; 5. TWO-DIMENSIONAL TOPOLOGICAL STATES; 5.1 Topological Insulators; 5.2 Topological Crystalline Insulators; 5.3 Quantum Anomalous Hall Effect; 5.4 Antiferromagnetic Topological Insulators; 5.5 Mixed Topological Semimetals; ; 6. PHOTO(ELECTRO)CHEMICAL REACTIONS; 6.1 Ion-Battery; 6.2 Two-Dimensional1. THEORY AND METHODS; 1.1 An Introduction to Density Functional Theory (DFT) and Derivatives; 1.2 The kp Model and Tight-Binding Approach; 1.3 Green`s Function Many-Body Perturbation Theory; 1.3.1 GW Approximation; 1.3.2 GW and Bethe-Salpeter Equation; 1.4 Time-Dependent Density Functional Theory (TDDFT) and Nonadiabatic Molecular Dynamics (NAMD); ; 2. NEW PHYSICAL EFFECTS BASED ON BAND STRUCTURE; 2.1 Valley-Contrasting Physics; 2.1.1 Intrinsic Valley Polarization; 2.1.2 Valley Polarization by Foreigner Atom Doping; 2.1.3 Valleytronics in van der Walls Heterostructures; 2.2 Rashba Effects; 2.3 Ferromagnetic Order in Two- and One-Dimensional Materials; 2.3.1 Two-Dimensional Materials; 2.3.2 One-Dimensional Materials; 2.4 Interline States in Two-Dimensional Material; ; 3. MANY-BODY EFFECTS IN LOW-DIMENSIONAL MATERIALS; 3.1 Electron-Electron Self-Energy Interaction and Bang Gap Renormalization; 3.2 Electron-Hole Excitonic Effects and Absorption; 3.3 Electron-Phonon Coupling; 3.4 Interlayer Exciton and Valley-Dependent Optical Selection Rule; ; 4. PHOTOEXCITED CHARGE CARRIER DYNAMICS AND TRANSPORT; 4.1 Charge Separation; 4.2 Charge Recombination; 4.3 Light-Electricity Conversion; ; 5. TWO-DIMENSIONAL TOPOLOGICAL STATES; 5.1 Topological Insulators; 5.2 Topological Crystalline Insulators; 5.3 Quantum Anomalous Hall Effect; 5.4 Antiferromagnetic Topological Insulators; 5.5 Mixed Topological Semimetals; ; 6. PHOTO(ELECTRO)CHEMICAL REACTIONS; 6.1 Ion-Battery; 6.2 Two-Dimensional Materials Based Photocatalysts; 6.3 Computational Electrochemistry; 6.3.1 Oxygen Evolution Reaction (OER) and Hydrogen Evolution Reaction (HER); 6.3.2 Nitrogen Reduction Reaction (NRR) … (more)
- Edition:
- 1st
- Publisher Details:
- Weinheim : Wiley-VCH
- Publication Date:
- 2022
- Extent:
- 1 online resource
- Subjects:
- 620.115
Nanostructured materials
Nanostructured materials -- Simulation methods - Languages:
- English
- ISBNs:
- 9783527832125
- Related ISBNs:
- 9783527349098
- Notes:
- Note: Description based on CIP data; resource not viewed.
- Access Rights:
- Legal Deposit; Only available on premises controlled by the deposit library and to one user at any one time; The Legal Deposit Libraries (Non-Print Works) Regulations (UK).
- Access Usage:
- Restricted: Printing from this resource is governed by The Legal Deposit Libraries (Non-Print Works) Regulations (UK) and UK copyright law currently in force.
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- Available online (eLD content is only available in our Reading Rooms) ↗
- Physical Locations:
- British Library HMNTS - ELD.DS.768580
- Ingest File:
- 19_009.xml