Computational Design Principles of Two-Center First-Row Transition Metal Oxide Oxygen Evolution Catalysts
Computational screens for oxygen evolution reaction (OER) catalysts based on Sabatier analysis have seen great success in recent years; however, the concept of using chemical descriptors to form a reaction coordinate has not been put under scrutiny for complex systems. In this paper, we examine crit...
| Main Authors: | , , , , |
|---|---|
| Other Authors: | |
| Format: | Article |
| Language: | en_US |
| Published: |
American Chemical Society (ACS)
2018
|
| Online Access: | http://hdl.handle.net/1721.1/115103 https://orcid.org/0000-0002-7499-1017 https://orcid.org/0000-0002-6164-485X https://orcid.org/0000-0001-7111-0176 |