Published in
Royal Society of Chemistry, Journal of Materials Chemistry A: materials for energy and sustainability, 45(5), p. 23976-23986, 2017
DOI: 10.1039/c7ta07754h
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Ab initio study of the role of iodine in the degradation of CH3NH3PbI3
Journal article published in 2017 by
Linghai Zhang,
Patrick H.-L. Sit 
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Abstract
DFT calculations were carried out to study the roles of iodine, excess electrons and holes on the MAPbI3 surface degradation.