Surface-Induced Electronic and Vibrational Level Shifting of [Fe(py)<sub>2</sub>bpym(NCS)<sub>2</sub>] on Al(100)
It is essential that one understands how the surface degrees of freedom influence molecular spin switching to successfully integrate spin crossover (SCO) molecules into devices. This study uses density functional theory calculations to investigate how spin state energetics and molecular vibrations c...
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| Format: | Article |
| Language: | English |
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MDPI AG
2023-09-01
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| Series: | Materials |
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| Online Access: | https://www.mdpi.com/1996-1944/16/18/6150 |