Dataset: Tautomeric Mixture Coordination Enables Efficient Lead-Free Perovskite LEDs
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Molecular dynamics trajectories showing the adsorption, clustering and tautomerization of Cyanuric acids molecules on 2D TEA<sub>2</sub>SnI<sub>4 </sub>and 3D CsSnI<sub>3</sub> Perovskites Typical input file for running these simulations on CP2k
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Zenodo创建时间：
2023-10-05
