請用此 Handle URI 來引用此文件: http://hdl.handle.net/11455/46574
標題: Ab initio Study of Atomic Hydrogen on ZnO Surfaces
作者: Siao, Yu-Jin
Liu, Po-Liang
Wu, Yen-Ting
出版社: The Japan Society of Applied Physics
摘要: The first-principles density functional theory is used to study the interaction of atomic hydrogen with ZnO surfaces. We find that atomic-hydrogen environments significantly reduce ZnO surface formation energies with hydrogen adsorption on the surface. The negative surface energy of the O-terminated ZnO(0001) surface is demonstrated in the O- and H-rich limits. The roughening and damage of ZnO surfaces are discussed in the context of the fluctuation of the surface formation energy.
URI: http://hdl.handle.net/11455/46574
ISSN: 1882-0778
顯示於類別:精密工程研究所

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