Development of a ReaxFF Reactive Force Field for the Pt–Ni Alloy Catalyst
Author:
Affiliation:
1. Department of Mechanical and Nuclear Engineering, The Pennsylvania State University, University Park, Pennsylvania 16802, United States
2. ExxonMobil Research and Engineering Co., Annandale, New Jersey 08801, United States
Funder
ExxonMobil Research and Engineering Company
Publisher
American Chemical Society (ACS)
Subject
Physical and Theoretical Chemistry
Link
https://pubs.acs.org/doi/pdf/10.1021/acs.jpca.6b06770
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