排序方式: 共有4条查询结果,搜索用时 78 毫秒
1
1.
2.
利用密度泛函理论研究了0.25单层(ML),0.5ML,0.75ML和1ML吸附率下H2O在SrTiO3-(001)TiO2表面上的吸附行为.比较了不同吸附率下分子吸附和解离吸附的稳定性,利用微动弹性带(nudged elastic band)方法计算了H2O的解离势垒.结果表明:在低吸附率(0.25ML和0.5ML)时,H2O表现为解离吸附;在0.75ML吸附率下,分子吸附和解离吸附同时存在;而在全吸附(吸附率为1ML)时,分子吸附更稳定.基于对H2O分子与表面之间以及H2O分子之间的电荷转移和相互作用的分析,讨论了吸附率对H2O吸附和解离的影响. 相似文献
3.
Coupling between Collective Excitations of a Bose--Einstein Condensate and Modulated Interactions 下载免费PDF全文
We investigate collective excitations of a Bose Einstein repulsive interactions, and analytically demonstrate that condensate in the presence of temporal modulation of the modulated interaction can drive the condensate to oscillate with the external modulation frequency, and that the interaction couples with the eigen modes of the condensate collective excitations, which was previously considered to be independent of interaction. When the external modulation frequency approaches or is far away from the eigen frequency of the density monopole mode, the condensate shows resonant or beating behaviour. 相似文献
4.
利用密度泛函理论研究了0.25单层(ML),0.5ML,0.75ML和1ML吸附率下H2O在SrTiO3-(001)TiO2表面上的吸附行为.比较了不同吸附率下分子吸附和解离吸附的稳定性,利用微动弹性带(nudged elastic band)方法计算了H2O的解离势垒.结果表明:在低吸附率(0.25ML和0.5ML)时,H2O表现为解离吸附;在0.75ML吸附率下,分子吸附和解离吸附同时存在;而在全吸附(吸附率为1ML)时,分子吸附更稳定.基于对H2O分子与表面之间以及H2O分子之间的电荷转移和相互作用的分析,讨论了吸附率对H2O吸附和解离的影响.
关键词:
2O')" href="#">H2O
吸附
3-(001)TiO2表面')" href="#">SrTiO3-(001)TiO2表面
密度泛函理论 相似文献
1