期刊
JOURNAL OF PHYSICAL CHEMISTRY LETTERS
卷 7, 期 12, 页码 2228-2233出版社
AMER CHEMICAL SOC
DOI: 10.1021/acs.jpclett.6b00894
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资金
- National Science Foundation Center for Chemical Innovation on Chemistry at the Space Time Limit (CaSTL) [CHE-1414466]
- Chemical Science, Geo- and Bioscience Division, Office of Science, U.S. Department of Energy [DE-FG02-04ER15595, DE-FG02-06ER15826]
- Condensed Matter Physics Program
- Division of Materials Research
- National Science Foundation [DMR-1411338]
- China Scholarship Council (CSC) [201208430282]
- U.S. Department of Energy (DOE) [DE-FG02-04ER15595, DE-FG02-06ER15826] Funding Source: U.S. Department of Energy (DOE)
- Direct For Mathematical & Physical Scien [1411338, 1414466] Funding Source: National Science Foundation
- Division Of Chemistry [1414466] Funding Source: National Science Foundation
- Division Of Materials Research [1411338] Funding Source: National Science Foundation
The combination of a sub-Kelvin scanning tunneling microscope and density functional calculations incorporating van der Waals (vdW) corrections has been used successfully to probe the adsorption structure and low-frequency vibrational modes of single benzene molecules on Ag(110). The inclusion of optimized vdW functionals and improved C6-based vdW dispersion schemes in density functional theory is crucial for obtaining the correct adsorption structure and low-energy vibrational modes. These results demonstrate the emerging capability to quantitatively probe the van der Waals interactions between a physisorbed molecule and an inert substrate.
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