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cond-mat.mtrl-sci2021
Predictive model of surface adsorption in dissolution on transition metals and alloys
Bo Li, Wang Gao, Qing Jiang
Surface adsorption, which is often coupled with surface dissolution, is generally unpredictable on alloys due to the complicated alloying and dissolution effects. Herein, we introd…
cond-mat.mtrl-sci2021★ 3 cited
A Transferable Machine-learning Scheme from Pure Metals to Alloys in Predicting Adsorption Energies
Xin Li, Bo Li, Zhiwen Chen +2
Alloys present the great potential in catalysis because of their adjustable compositions, structures and element distributions, which unfortunately also limit the fast screening of…