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化学与物理和材料科学交汇的固体化学Solid-state chemistry - where chemistry meets physics and materials science |
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| 课程网址: | http://videolectures.net/kolokviji_dronskowski_science/ |
| 主讲教师: | Richard Dronskowski |
| 开课单位: | 亚琛工业大学 |
| 开课时间: | 2012-02-27 |
| 课程语种: | 英语 |
| 中文简介: |  |
| 课程简介: | Modern (theoretical) solid-state chemistry is a most fascinating discipline in that it touches upon many scientific fields. To start with, I will cover how density-functional calculations may pave the way to purely theoretical (first-principles) Gibbs energy data for solids, very much needed to understand and optimize materials of practical interest, e.g., high-temperature superconductors. Such theoretical approaches are also extremely useful when it comes to pre-dicting non-existent compounds of – at the present time – purely academic interest, nicely ex-emplified by high-pressure metal pernitrides, still a very young class of solid-state phases. Likewise, so-called carbodiimides are the nitrogen-analogues of the well-known oxides be-cause here the oxide anion has been replaced by the isolobal carbodiimide anion, very much in the spirit of a “divalent nitride” species; note that such phases have also been made possible only by theoretical reasoning. The entire series of the transition-metal carbodiimides (as op-posed to the chemically less interesting oxides) exhibits unexpected properties such as ferro-magnetism and spin-liquid-like behavior. Finally, salt-like compounds containing the guani-dine species, a biochemically extremely important building block, have recently been predicted and synthesized, and they correspond to the nitrogen analogues of the well-known carbonates. It is clear that the crystal structures of the guanidinates heavily depend on the H-bond network, which often demands theoretical insight from first-principles computations. |
| 关 键 词: | 固态化学; 密度函数; 高温超导体 |
| 课程来源: | 视频讲座网 |
| 最后编审: | 2019-05-12：cjy |
| 阅读次数: | 101 |