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Science in its mature state provides tools to predict the behaviour of systems on the basis of theoretical principles. Despite its tremendous relevance in chemical industry and in environmental protection, heterogenous catalysis was far from this state until recently and was sometimes referred to as black magic rather than as science. Meanwhile, intensive research concentrating multiple structural and spectroscopic techniques on selected catalysts, studies of the surface state during the catalytic reaction, and the close interaction with neighbouring fields of science which contribute investigations on simplified model systems (surface science, theoretical chemistry, homogeneous catalysis) have changed this situation. For major fields of heterogenous catalysis (acid-base, metal catalysis), prediction of reaction rates per active site on the basis of theoretical calculations has been recently demonstrated for simple systems.
However, heterogeneous catalysis remains an exciting experimental science with strong interdisciplinary impact. The immense complexity of real catalysts and of the routes for their synthesis, the dynamic development of preparation techniques for solid materials and the considerable economic and ecologic benefit from the application of improved catalysts create ever new tasks, which are even nowadays solved not so much by theoretical prediction but in the style of a scientific detective work (often including the use of theoretical tools).
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Emission Control Science and Technologyno. 4 (2019): 353-362
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