Electrochemical CO2 reduction (eCO2R) is one of the most promising and effective technologies to reduce CO2 into value-added chemicals and fuels, reducing the dependence on fossil fuels. However, the efficiency and selectivity of eCO2R is dependent on the interactions between the catalyst surface and the intermediates, which is majorly due to the inherent nature of the catalyst and other parameters like mass transport, electrolyte and intermediate coverage on the surface. There exists a parity between the existing experimental and theoretical catalyst design strategies. In this review we intend to discuss the rational design of catalysts based on transition metals to achieve highly efficient eCO2R. The strategies focused on here include the ligand effect, alloying, strain engineering, heterostructure formation, oxide derivation and the use of transition-metal chalcogenides, phosphides, nitrides and carbides. These strategies are effective in modulating the electronic structure, adsorption geometries and the local environment of the catalysts thus enhancing the eCO2R performance. In conclusion, the shortcomings and pivotal requirements in this field have been discussed in this perspective.