Journal
JOURNAL OF THE AMERICAN CHEMICAL SOCIETY
Volume 142, Issue 15, Pages 6902-6906Publisher
AMER CHEMICAL SOC
DOI: 10.1021/jacs.0c01549
Keywords
-
Categories
Funding
- National Natural Science Foundation of China [21688102, 21973015, 91427301]
- Science Challenge Project [TZ2018004]
- Shanghai Pujiang Program [19PJ1400600]
Ask authors/readers for more resources
While being considered as the building block of ice on a hydrophobic metal surface, the global minimum of the water hexamer is still elusive, which has impeded our understanding of water/metal interfaces. Herein, we comprehensively investigate water hexamer on Cu(111) theoretically and propose the boat configuration as the new in situ adsorption configuration from the scanning tunneling microscope experiments. All existing experimental measurements can therefore be well reproduced. Calculations in high-level theories reveal that the boat configuration is indeed the global minimum under experimental conditions, solving a long-standing discrepancy.
Authors
I am an author on this paper
Click your name to claim this paper and add it to your profile.
Reviews
Recommended
No Data Available