<p>External electric fields can modify binding energies of reactive surface species and enhance catalytic performance of heterogeneously catalyzed reactions. Large electric fields can be experimentally generated through three ways: (1) internally over molecular length scales in (metallo-)enzyme and eolite catalytic active sites; (2) externally in gas/solid heterogeneous catalytic system, such as ultra-high vacuum conditions via scanning tunneling microscopy, field ion/emission microscopy, or flow reactor type via dielectric barrier discharge, coaxial capacitor, and microwave reactor; and (3) in an interfacial way at gas/liquid/solid triple phase boundary. Compared to experimental studies, theoretical work on electric field effects in catalysis is very limited due to the low efficiency of pure DFT calculations for predicting field-dependent energetics of catalytic reactions. This has led to an incomplete picture of how electric fields influence catalytic mechanisms at the atomic-scale and hinders the design and optimization of field-induced catalytic technologies.</p>