期刊
NATURE MATERIALS
卷 15, 期 3, 页码 289-+出版社
NATURE PUBLISHING GROUP
DOI: 10.1038/NMAT4487
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资金
- Swiss National Science Foundation [200021-147143]
- European Commission (EC) FP7 ITN 'MOLESCO' project [606728]
- UK EPSRC [EP/K001507/1, EP/J014753/1, EP/H035818/1]
- Spanish MINECO [MAT2011-25046, MAT2014-57915-R]
- Comunidad de Madrid NANOFRONTMAG-CM [S2013/MIT-2850]
- MAD2D-CM [S2013/MIT-3007]
- Iraqi Ministry of Higher Education, Tikrit University [SL-20]
- UAM
- IMDEA-Nanoscience
- Spanish MECD [FPU014/03368]
- Tikrit University
- EPSRC [EP/K030108/1, EP/H035818/1, EP/J014753/1, EP/K001507/1] Funding Source: UKRI
- Engineering and Physical Sciences Research Council [EP/H035818/1, EP/J014753/1, EP/K030108/1, EP/K001507/1] Funding Source: researchfish
Molecular junctions are a versatile test bed for investigating nanoscale thermoelectricity(1-10) and contribute to the design of new cost-effective environmentally friendly organic thermoelectric materials(11). It was suggested that transport resonances associated with discrete molecular levels could play a key role in thermoelectric performance(12,13), but no direct experimental evidence has been reported. Here we study single-molecule junctions of the endohedral fullerene Sc3N@C-80 connected to gold electrodes using a scanning tunnelling microscope. We find that the magnitude and sign of the thermopower depend strongly on the orientation of the molecule and on applied pressure. Our calculations show that Sc3N inside the fullerene cage creates a sharp resonance near the Fermi level, whose energetic location, and hence the thermopower, can be tuned by applying pressure. These results reveal that Sc3N@C-80 is a bi-thermoelectric material, exhibiting both positive and negative thermopower, and provide an unambiguous demonstration of the importance of transport resonances in molecular junctions.
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