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 ...
- 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 ...
- 1,952
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 ...
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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 ...
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