TY - JOUR
T1 - Oxygen Reduction Activities of Strained Platinum Core-Shell Electrocatalysts Predicted by Machine Learning
AU - Rück, Marlon
AU - Garlyyev, Batyr
AU - Mayr, Felix
AU - Bandarenka, Aliaksandr S.
AU - Gagliardi, Alessio
N1 - Publisher Copyright:
© 2020 American Chemical Society.
PY - 2020/3/5
Y1 - 2020/3/5
N2 - Core-shell nanocatalyst activities are chiefly controlled by bimetallic material composition, shell thickness, and nanoparticle size. We present a machine learning framework predicting strain with site-specific precision to rationalize how strain on Pt core-shell nanocatalysts can enhance oxygen reduction activities. Large compressive strain on Pt@Cu and Pt@Ni induces optimal mass activities at 1.9 nm nanoparticle size. It is predicted that bimetallic Pt@Au and Pt@Ag have the best mass activities at 2.8 nm, where active sites are exposed to weak compressive strain. We demonstrate that optimal strain depends on the nanoparticle size; for instance, strengthening compressive strain on 1.92 nm sized Pt@Cu and Pt@Ni, or weakening compressive strain on 2.83 nm sized Pt@Ag and Pt@Au, can lead to further enhanced mass activities.
AB - Core-shell nanocatalyst activities are chiefly controlled by bimetallic material composition, shell thickness, and nanoparticle size. We present a machine learning framework predicting strain with site-specific precision to rationalize how strain on Pt core-shell nanocatalysts can enhance oxygen reduction activities. Large compressive strain on Pt@Cu and Pt@Ni induces optimal mass activities at 1.9 nm nanoparticle size. It is predicted that bimetallic Pt@Au and Pt@Ag have the best mass activities at 2.8 nm, where active sites are exposed to weak compressive strain. We demonstrate that optimal strain depends on the nanoparticle size; for instance, strengthening compressive strain on 1.92 nm sized Pt@Cu and Pt@Ni, or weakening compressive strain on 2.83 nm sized Pt@Ag and Pt@Au, can lead to further enhanced mass activities.
UR - http://www.scopus.com/inward/record.url?scp=85080035707&partnerID=8YFLogxK
U2 - 10.1021/acs.jpclett.0c00214
DO - 10.1021/acs.jpclett.0c00214
M3 - Article
C2 - 32057245
AN - SCOPUS:85080035707
SN - 1948-7185
VL - 11
SP - 1773
EP - 1780
JO - Journal of Physical Chemistry Letters
JF - Journal of Physical Chemistry Letters
IS - 5
ER -