Tuning Transition Metal 3d Spin state on Single‐atom Catalysts for Selective Electrochemical CO 2 Reduction
National University of Singapore · University of Auckland · +2 more institutions
Abstract
Abstract Tuning transition metal spin states potentially offers a powerful means to control electrocatalyst activity. However, implementing such a strategy in electrochemical CO 2 reduction (CO 2 R) is challenging since rational design rules have yet to be elucidated. Here we show how the addition of P dopants to a ferromagnetic element (Fe, Co, and Ni) single‐atom catalyst (SAC) can shift its spin state. For instance, with Fe SAC, P dopants enable a switch from low spin state ( d x2‐ y2 0 , d z2 0 , d xz 2 , d yz 1 , d xy 2 ) in Fe‐N 4 to high spin state ( d x2‐y2 0 , d xz 1 , d yz 1 , d z2 1 , d xy 2 ) in Fe‐N 3 ‐P. This is studied using a suite of characterization efforts, including X‐ray absorption…
Citation impact
- FWCI
- 16.88
- Percentile
- 100%
- References
- 39
Authors
9Topics & keywords
- Materials science
- Transition metal
- X-ray absorption spectroscopy
- Density functional theory
- Spin states
- Dopant
- Atom (system on chip)
- Electrocatalyst