Sheka, Elena F.,
Spin chemical physics of graphene / Elena Sheka. - 1 online resource
chapter 1 Open-Shell Molecules, Unrestricted Hartree-Fock Formalism, Electron Correlation, and Spin-Orbit Coupling -- chapter 2 Stretching and Breaking of Chemical Bonds Leading to Open-Shell Character of Molecular Electronic Systems -- chapter 3 Spin Roots of Dirac Material Graphene -- chapter 4 Silicene and Other Heavier Tetrelenes -- chapter 5 Spin Molecular Theory of Graphene Hydrogenation -- chapter 6 Spin Molecular Theory of Graphene Oxidation -- chapter 7 Technical Graphene (Reduced Graphene Oxide) and Its Natural Counterpart (Shungite Carbon -- chapter 8 Parent and Reduced Graphene Oxides of Different Origin in Light of Neutron Scattering -- chapter 9 Spin Mechanochemistry of Graphene. 1. Static Deformation and Uniaxial Tension of Nanographene Molecule -- chapter 10 Spin Mechanochemistry of Graphene. 2. Uniaxial Tension of Nanographane -- chapter 11 Spin Topochemistry of Spatially Extended sp2 Nanocarbons in General and Graphene in Particular -- chapter 12 Photonics of Graphene Quantum Dots.
"Graphene's nickname 'miracle material' normally means the material superior properties. However, all these characteristics are only the outward manifestation of the wonderful nature of graphene. The real miracle of graphene is that the specie is a union of two entities: a physical and a chemical one, each of which is unique in its own way. The book concerns a very close interrelationship between graphene physics and chemistry as expressed via typical spin effects of a chemical physics origin. Based on quantum-chemical computations, the book is nevertheless addressed to the reflection of physical reality and it is aimed at an understanding of what constitutes graphene as an object of material science--sci graphene--on the one hand, and as a working material--high tech graphene--for a variety of attractive applications largely discussed and debated in the press, on the other. The book is written by a user of quantum chemistry, sufficiently experienced in material science, and the chemical physics of graphene is presented as the user view based on results of extended computational experiments in tight connection with their relevance to physical and chemical realities. The experiments have been carried out at the same theoretical platform, which allows considering different sides of the graphene life at the same level in light of its chemical peculiarity."--Provided by publisher.
9781315229270 9781351858588
10.1201/9781315229270 doi
Graphene.
Graphene--Properties.
QD181.C1 / S54 2018
546.681 / S543
Spin chemical physics of graphene / Elena Sheka. - 1 online resource
chapter 1 Open-Shell Molecules, Unrestricted Hartree-Fock Formalism, Electron Correlation, and Spin-Orbit Coupling -- chapter 2 Stretching and Breaking of Chemical Bonds Leading to Open-Shell Character of Molecular Electronic Systems -- chapter 3 Spin Roots of Dirac Material Graphene -- chapter 4 Silicene and Other Heavier Tetrelenes -- chapter 5 Spin Molecular Theory of Graphene Hydrogenation -- chapter 6 Spin Molecular Theory of Graphene Oxidation -- chapter 7 Technical Graphene (Reduced Graphene Oxide) and Its Natural Counterpart (Shungite Carbon -- chapter 8 Parent and Reduced Graphene Oxides of Different Origin in Light of Neutron Scattering -- chapter 9 Spin Mechanochemistry of Graphene. 1. Static Deformation and Uniaxial Tension of Nanographene Molecule -- chapter 10 Spin Mechanochemistry of Graphene. 2. Uniaxial Tension of Nanographane -- chapter 11 Spin Topochemistry of Spatially Extended sp2 Nanocarbons in General and Graphene in Particular -- chapter 12 Photonics of Graphene Quantum Dots.
"Graphene's nickname 'miracle material' normally means the material superior properties. However, all these characteristics are only the outward manifestation of the wonderful nature of graphene. The real miracle of graphene is that the specie is a union of two entities: a physical and a chemical one, each of which is unique in its own way. The book concerns a very close interrelationship between graphene physics and chemistry as expressed via typical spin effects of a chemical physics origin. Based on quantum-chemical computations, the book is nevertheless addressed to the reflection of physical reality and it is aimed at an understanding of what constitutes graphene as an object of material science--sci graphene--on the one hand, and as a working material--high tech graphene--for a variety of attractive applications largely discussed and debated in the press, on the other. The book is written by a user of quantum chemistry, sufficiently experienced in material science, and the chemical physics of graphene is presented as the user view based on results of extended computational experiments in tight connection with their relevance to physical and chemical realities. The experiments have been carried out at the same theoretical platform, which allows considering different sides of the graphene life at the same level in light of its chemical peculiarity."--Provided by publisher.
9781315229270 9781351858588
10.1201/9781315229270 doi
Graphene.
Graphene--Properties.
QD181.C1 / S54 2018
546.681 / S543