An extended surface Pourbaix framework that includes early adsorption and vacancy steps predicts stability windows for MoS2, phosphorene, and Ti2C in agreement with experiments, while standard Pourbaix analysis declares them unstable.
Computa- tional high-throughput screening of electrocatalytic materials for hydrogen evolution.Nature Materials, 5(11):909–913, 2006
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Predicting aqueous and electrochemical stability of 2D materials from extended Pourbaix analyses
An extended surface Pourbaix framework that includes early adsorption and vacancy steps predicts stability windows for MoS2, phosphorene, and Ti2C in agreement with experiments, while standard Pourbaix analysis declares them unstable.