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

• Main Author: Zhang, Jingyun
• Other Authors: Kuo Jer-Lai
• Format: Theses and Dissertations
• Language: English
• Published: 2012
• Subjects: DRNTU::Science::Physics::Atomic physics::Solid state physics
• Online Access: https://hdl.handle.net/10356/50740
• Institution: Nanyang Technological University

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...