Energy‐Level Alignment at Organic/Metal and Organic/Organic Interfaces

Abstract In this Review, we summarize recent work on modeling of organic/metal and organic/organic interfaces. Some of the models discussed have a semiempirical approach, that is, experimentally derived values are used in combination with theory, and others rely completely of calculations. The models are categorized according to the types of interfaces they apply to, and the strength of the interaction at the interface has been used as the main factor. We explain the basics of the models, their use, and give examples on how the models correlate with experimental results. We stress that given the complexity of organic/metal and organic/organic interface formation, it is crucial to know the exact way in which the interface was formed before choosing the model that is applicable, as none of the models presented covers the whole range of interface interaction strengths (weak physisorption to strong chemisorption).