Computational screening of transition metal-doped phthalocyanine monolayers for oxygen evolution and reduction
Open Access
- 5 December 2019
- journal article
- research article
- Published by Royal Society of Chemistry (RSC) in Nanoscale Advances
- Vol. 2 (2) , 710-716
Abstract
The best catalyst for the OER is Ir@Pc with an η OER of 0.41 V followed by Rh@Pc with an η OER = 0.44 V. For the ORR process, the best catalyst is Rh@Pc with an η ORR of 0.44 V followed by Ir@Pc ( η ORR = 0.55 V).Keywords
Funding Information
- U.S. Department of Energy (DE-SC0004993)
- China Scholarship Council
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