Perspectives on ab initio molecular simulation of excited-state properties of organic dye molecules in dye-sensitised solar cells
Abstract
In this mini-review, we summarise and critique the emerging field of quantum-based molecular simulation of
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* Corresponding authors
a
The SFI Strategic Research Cluster in Solar Energy Conversion and the Centre for Synthesis and Chemical Biology, School of Chemical and Bioprocess Engineering, University College Dublin, Dublin 4, Belfield, Ireland
E-mail:
niall.english@ucd.ie, ravindranathan.thampi@ucd.ie
In this mini-review, we summarise and critique the emerging field of quantum-based molecular simulation of
S. Agrawal, N. J. English, K. R. Thampi and J. M. D. MacElroy, Phys. Chem. Chem. Phys., 2012, 14, 12044 DOI: 10.1039/C2CP42031G
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