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Ab Initio Study Of The Effects Of Humidity On Perovskite Based Hybrid Solar Cell Interfaces, Shantanu Rajendra Rachalwar
Ab Initio Study Of The Effects Of Humidity On Perovskite Based Hybrid Solar Cell Interfaces, Shantanu Rajendra Rachalwar
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Despite the impressive success of perovskite-based hybrid solar cells, their widespread usage has been limited partially owing to stability issues under working environmental conditions. Among these, the effects of humidity are some of the most significant. Water intercalation generally degrades the material, shortens its useful life, and reduces the efficiency of photovoltaic energy conversion. Understanding the reasons for these effects can be achieved through detailed and accurate atomic-scale analysis. Here, we study water intercalation at the interfaces of perovskite-based hybrid solar cell material and TiO2 electrode. Accurate ab initio computer simulations are used to obtain structural and electronic properties. We …
Configuration And Electronic Properties Of The Interface Between Lead Iodide Hybrid Perovskite And Self-Assembled Monolayers In Solar Cells, Parin Divya Amlani
Configuration And Electronic Properties Of The Interface Between Lead Iodide Hybrid Perovskite And Self-Assembled Monolayers In Solar Cells, Parin Divya Amlani
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Hybrid perovskite photovoltaic materials are currently the most promising functional materials for solar cell applications with efficiency reaching to those of more conventional materials such as silicon. Using self-assembled monolayers between photovoltaic materials and electrodes is a method for improving the stability and functionality. Recent experiments have shown that using 4-mercaptobenzoic acid and pentafluorobenzenethiol monolayers bridging lead iodide hybrid perovskite photovoltaic materials and electrodes result in improved stability and efficiency. The details of monolayer assembly, molecular adsorption configuration, and resulting modification of electronic properties are important characteristics related to solar cell performance. These characteristics can be obtained through accurate computer …