Modulating electronic properties of MoS2 via Sn-doping for efficient Electrocatalytic water splitting

Pristine MoS 2 exhibits sluggish kinetics for both oxygen and hydrogen evolution reactions (OER and HER) due to its restricted active sites and inadequate conductivity; however, strategic doping can impose significant improvement of catalytic performance by altering the electronic structure and revealing additional active edge sites. The Sn-doped MoS 2 nanomaterial was grown on Ni-foam (Sn-doped MoS 2 @Ni-foam) using the microwave-assisted hydrothermal method, followed by characterization by several analytical techniques. The electrochemical investigations revealed that Sn-doped MoS 2 @Ni-foam exhibited exceptional OER and HER performance, with minimal overpotentials of 259 and 149 mV at a current density of 10 mA/cm 2 , in contrast to pristine MoS 2 @Ni-foam, demonstrating overpotentials of 307 and 254 mV at the same current density. Theoretical investigations indicated that Sn-doping successfully altered the electronic structure and optimised the active sites of MoS 2 , enhancing overall catalytic efficiency. This study offers an innovative approach for the synthesis of highly efficient, economical electrocatalysts for water splitting, with potential applications in clean energy generation along with sustainable hydrogen production. • Sn-doped MoS 2 catalyst was synthesized using microwave-assisted approach. • Sn-doped MoS 2 exhibited excellent OER performance as compared to pristine MoS 2 . • Sn-doped MoS 2 exhibited excellent HER performance as compared to pristine MoS 2 . • DFT studies indicated that Sn insertion into MoS 2 improved the electronic and catalytic properties Sn-doped MoS 2 .