Oxygen K-edge X-ray absorption spectroscopy study in ice and molecular dynamics study in hydrogen hydrate : density functional theory applicaitons

• المؤلف الرئيسي: Zhang, Jingyun
• مؤلفون آخرون: Kuo Jer-Lai
• التنسيق: Theses and Dissertations
• اللغة: English
• منشور في: 2012
• الموضوعات: DRNTU::Science::Physics::Atomic physics::Solid state physics
• الوصول للمادة أونلاين: https://hdl.handle.net/10356/50740

Many properties of the water in the physics concern are not well understood. In this thesis, oxygen K edge X-ray absorption spectroscopy (XAS) calculations of ice (water in solid form) and first principles molecular dynamics study of the hydrogen hydrate (ice-relating material) under compression are...