Programmable catalysis by support polarization: elucidating and breaking scaling relations.

ABSTRACT: The Sabatier principle and the scaling relations have been widely used to search for and screen new catalysts in the field of catalysis. However, these powerful tools can also serve as limitations of catalyst control and breakthrough. To overcome this challenge, this work proposes an efficient method of studying catalyst control by support polarization from first-principles. The results demonstrate that the properties of catalysts are determined by support polarization, irrespective of the magnitude of spontaneous polarization of support. The approach enables elucidating the scaling relations between binding energies at various polarization values of support. Moreover, we observe the breakdown of scaling relations for the surface controlled by support polarization. By studying the surface

SUBMITTER: Jung S 

PROVIDER: S-EPMC10684597 | biostudies-literature | 2023 Nov

REPOSITORIES: biostudies-literature