| 查看: 1055 | 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
生物学学硕，一志愿湖南大学，初试成绩338
已经有5人回复
-
332求调剂
已经有3人回复
-
343求调剂
已经有3人回复
-
学硕274求调剂
已经有8人回复
-
压国家一区线，求导师收留，有恩必谢！
已经有7人回复
-
081200-11408-276学硕求调剂
已经有4人回复
-
22408 359分调剂
已经有4人回复
-
本科新能源科学与工程，一志愿华理能动285求调剂
已经有5人回复
-
一志愿华北电力大学能动专硕，293，求调剂
已经有5人回复
-
调剂310
已经有7人回复
2楼2022-01-12 23:35:23
3楼2022-01-19 13:01:04
