Electronic Structure and Electronic Transitions in Layered Materials, V. Grasso
Автор: Shuai Название: Theory of Charge Transport in Carbon Electronic Materials ISBN: 3642250750 ISBN-13(EAN): 9783642250750 Издательство: Springer Рейтинг: Цена: 7182.00 р. Наличие на складе: Есть у поставщика Поставка под заказ.
Описание: Mechanism of charge transport in organic solids has been an issue of intensive interests and debates for over 50 years, not only because of the applications in printing electronics, but also because of the great challenges in understanding the electronic processes in complex systems. With the fast developments of both electronic structure theory and the computational technology, the dream of predicting the charge mobility is now gradually becoming a reality. This volume describes recent progresses in Prof. Shuai’s group in developing computational tools to assess the intrinsic carrier mobility for organic and carbon materials at the first-principles level. According to the electron-phonon coupling strength, the charge transport mechanism is classified into three different categories, namely, the localized hopping model, the extended band model, and the polaron model. For each of them, a corresponding theoretical approach is developed and implemented into typical examples.
Описание: A large variety of structural phase transitions, such as commensurate and incommensurate transitions, and the physical proper- ties related to the formation of a CDW, have been an object of intense study made for many years by methods employing modem microscopic techniques.
Описание: In the last ten years, the chemistry and physics of materials with layered structures became an intensively investigated field in the study of the solid state. This second volume in the series `Physics and Chemistry of Materials with Layered Structures` has been written by specialists of different classes of layered materials.
Автор: T.J. Wieting; M. Schl?ter Название: Electrons and Phonons in Layered Crystal Structures ISBN: 9400993722 ISBN-13(EAN): 9789400993723 Издательство: Springer Рейтинг: Цена: 14365.00 р. Наличие на складе: Есть у поставщика Поставка под заказ.
Описание: An individual layer of a layered crystal may be composed of either a single sheet of atoms, as in graphite, or a set of up to five atomic sheets, as in Bi2 Te3` A layer may also have more complicated arrangements of the atoms, as we find for example in Sb S .
Автор: Helgaker Название: Molecular Electronic-Structure Theory ISBN: 1118531477 ISBN-13(EAN): 9781118531471 Издательство: Wiley Рейтинг: Цена: 11238.00 р. Наличие на складе: Есть у поставщика Поставка под заказ.
Описание: Molecular electronic-structure theory uses quantum mechanics to calculate the energies and wave functions of molecules and their molecular properties. It uses sophisticated mathematics and computers to solved the wave equations. The calculations can be used to find out how the atoms of the molecule are linked together in a molecule.
Автор: Dongpeng Yan; Min Wei Название: Photofunctional Layered Materials ISBN: 3319169904 ISBN-13(EAN): 9783319169903 Издательство: Springer Рейтинг: Цена: 36570.00 р. Наличие на складе: Есть у поставщика Поставка под заказ.
Описание: Physical and spectroscopic techniques used to determine, examine and model structures fall within the purview of Structure and Bonding to the extent that the focus is on the scientific results obtained and not on specialist information concerning the techniques themselves.
This thesis presents a combination of material synthesis and characterization with process modeling. In it, the CO2 adsorption properties of hydrotalcites are enhanced through the production of novel supported hybrids (carbon nanotubes and graphene oxide) and the promotion with alkali metals. Hydrogen is regarded as a sustainable energy carrier, since the end users produce no carbon emissions. However, given that most of the hydrogen produced worldwide comes from fossil fuels, its potential as a carbon-free alternative depends on the ability to capture the carbon dioxide released during manufacture. Sorption-enhanced hydrogen production, in which CO2 is removed as it is formed, can make a major contribution to achieving this. The challenge is to find solid adsorbents with sufficient CO2 capacity that can work in the right temperature window over repeated adsorption-desorption cycles.
The book presents a highly detailed characterization of the materials, together with an accurate measurement of their adsorption properties under dry conditions and in the presence of steam. It demonstrates that even small quantities of graphene oxide provide superior thermal stability to hydrotalcites due to their compatible layered structure, making them well suited as volume-efficient adsorbents for CO2. Lastly, it identifies suitable catalysts for the overall sorption-enhanced water gas shift process.
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