各位专家，
做了个异质结光催化的模拟，两个单层垂直堆积。遇到两个貌似是做实验的，几个问题搞不定，想求助下，谢谢。
1、the authors may want to add calculations using the marcus theory to intuitively give carrier hopping rates between two layers.
这个马库斯听说过，化学炸弹奖，但具体怎么算从来没遇到，看了一堆光催化的模拟也没提到这个。

2、the authors may want to show spatial distributions of excited carriers to illustrate whether there will form interlayer or intralayer excitons.
我给出了cbm vbm的电荷，位于不同层，应该是层间跃迁。我没考虑激子效应算光学，为何审稿问这个激子是层间还是层内怎么证明？是要通过算gw+bse来画vbm cbm？

3、from the manuscript, it is not clear whether the authors calculated the redox potentials or not? if authors are comparing the redox potentials with the cbm and vbm values, then they should note that cbm and vbm levels do not correspond to the redox potentials. it is advised to perform either the redox potential calculations (instead of comparing the cbm and vbm values) or mention explicitly that the results in fig. 4 cannot be useful for the experimentalists.
水的redox level ph=0 是确定的，我的cvm vbm是以真空能级为参考。不太明白审稿什么意思？

谢谢！

[ Last edited by calos818 on 2020-7-27 at 20:14 ] 返回小木虫查看更多