| 查看: 1107 | 回复: 2 | ||
| 【悬赏金币】回答本帖问题，作者421594199将赠送您 15 个金币 | ||
[求助]
如何做出VBM的具体电位值，从而计算带偏（Band offset） 已有1人参与
|
||
|
这个图里面平均静电势我是会计算的，但是很困扰我的是这个TiO2以及MgO的VBM电位值如何获得的。文献中这样描述的 To further characterize the interfacial electronic properties, we have explored the electrostatic potential of the MgO/ TiO2(001) heterostructure and the corresponding MgO and TiO2 individual components. We have computed the macro- scopic average potential using eq 2, and the corresponding Δ ̿V (z)MgO/TiO2 is 3.981 eV, as shown in Figure 4. The band offsets were computed using eqs 1−4. The valence band offset ΔEVBO was found by eq 3, and the conduction band offset ΔECBO was found by eq 4. These were computed as 0.03 and 0.91 eV, respectively, because the MgO/TiO2 heterostructure is a straddling-gap-type structure. This heterostructure will not fall under type II because these band alignments are not like those of staggered type II. 只是说计算得到，我就很迷惑 |
回复此楼» 猜你喜欢
航天502所 高瑛珂博士 婚内征婚 欺骗女性开房
已经有25人回复
-
26/27申博
已经有4人回复
-
地球科学部D01口青年基金，最低几A几B几C才能有几率中呀。
已经有4人回复
-
宿州学院学报
已经有6人回复
-
投稿文章被秒拒了
已经有5人回复
-
招收2026级博士生
已经有6人回复
-
博士申请
已经有5人回复
2楼2022-01-12 23:35:23
3楼2022-01-19 13:01:04