A machine learning scheme for the catalytic activity of alloys with intrinsic descriptors
Keyword(s):
We develop a universal design scheme based on the machine learning method and the intrinsic properties of substrates and adsorbates, allowing accurate prediction and rapid screening through a large phase space of alloys and multiple adsorbates.
2021 ◽
Vol 1865
(4)
◽
pp. 042016
Keyword(s):
Keyword(s):