I calculate the band gap after the GR/SnO2 composite, why is zero?I can't explain why, I don't know that calculation is correct, I hope god can give me a reasonable explanation.thanks a lot!!
Make sure that you used the Tauc method correctly.
I think it's not possible to calculate a zero bandgap using the standard method, can you show us your UV Vis spectra?
If your material has a bandgap of zero eV, the material isn't a semicondutor, but a conductor, then you should change your way to measure the optical and eletrical properties.
Thanks a lot! I also think it is the nature of the metal, I wonder that may be the calculation problem of SnO2 body materials, because for SnO2 material in the process of computing the LDA + U, do not have the relevant literature documente the U value .it sometimes make me nervous.Give me help!Thanks again!
Doing some research I found that the band gap of SnO2 is 3.6 eV. So you should consider review your research about this. Could you show us your UV Vis spectra?
Please share (if you like) your UV-VIS-NIR data. So that we can extract the band gap from Tauc's plot and can help you. If you do not have then please do this experiment.
I am a green hand,So, there will always be a lot of things that i don't know, but also want your understandings.I'm in first principles calculation, hasn't done the experiment, and can not verify the results from the experiment.I do is graphene system, rather than reducd graphene oxide.Thanks for your helps, I will make persistent efforts, hope to be able to get the correct and scientific results.