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16 votes
Accepted

What has caused this apparent stagnancy, in the development of more efficient solar cells?

I suspect it's a combination of three factors: First, there's a fundamental limit of the efficiency of solar cells. A solar cell is effectively a heat engine that uses the 6000K Sun as the heat ...
Mark's user avatar
  • 276
11 votes

Has materials modeling made any specific contribution to the success of perovskite solar cells, or has it only been experimental?

If you are looking for theoretical prediction of candidate perovskite solar cell materials; I have come across several papers that couple high-throughput density functional theory calculations along ...
Achintha Ihalage's user avatar
7 votes

Has materials modeling made any specific contribution to the success of perovskite solar cells, or has it only been experimental?

To add to the previous answer: the new lead-free halide double perovskite $\ce{Cs_2InAgCl_6}$ was discovered by first-principles and then synthesized: G. Volonakis et al. $\ce{Cs_2InAgCl_6}$: A New ...
sponce's user avatar
  • 171
6 votes

Has DFT helped in development of better solar materials?

To make a start in answering this question, here is a review on "Computational predictions of energy materials using DFT" by Jain et al. (2016). The bar for inclusion was: examples where ...
leopold.talirz's user avatar
1 vote

Help regarding SLME calculation

The steps here which worked for me regarding this particular script At the start of the script add required libraries, such as (you can change according to your requirement) ...
epsilon02fft's user avatar
  • 1,522

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