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Catalytic Activity in Strained Chemically Exfoliated WS2 Nanosheets for Hydrogen Evolution

DFT calculations of HER from WS2

DFT calculations of HER from WS2

DFT calculations showing that the energy barrier for the limiting reaction for HER is negligible in a WS2 nanosheet that is uniformly strained at 2.7% and consists of the metallic phase.

Credits: Damien Voiry and Manish Chhowalla