The stability of 2D tessellation ice on the hydroxylated β-cristobalite (100) surface
作者:Zhong-Yuan Lu*, Zhao-Yan Sun, Ze-Sheng Li, Li-Jia An
关键字:generalized gradient approximation; density-functional theory; molecular-dynamics; liquid water; simulation; silica; potentials; β-cristobalite (100); clusters; model
论文来源:期刊
具体来源:J. Phys. Chem.B, 109, 5678-5683, 2005.
发表时间:2005年
The stability of 2D tessellation ice on the hydroxylated β-cristobalite (100) surface