Sökning: id:"swepub:oai:DiVA.org:kth-276645" >
Identification of W...
Identification of Water Hexamer on Cu(111) Surfaces
-
- Duan, Sai (författare)
- Fudan Univ, Collaborat Innovat Ctr Chem Energy Mat, Dept Chem, Key Lab Mol Catalysis & Innovat Mat,MOE Key Lab C, Shanghai 200433, Peoples R China.
-
- Zhang, Igor Ying (författare)
- Fudan Univ, Collaborat Innovat Ctr Chem Energy Mat, Dept Chem, Key Lab Mol Catalysis & Innovat Mat,MOE Key Lab C, Shanghai 200433, Peoples R China.
-
- Xie, Zhen (författare)
- KTH,Teoretisk kemi och biologi
-
visa fler...
-
- Xu, Xin (författare)
- Fudan Univ, Collaborat Innovat Ctr Chem Energy Mat, Dept Chem, Key Lab Mol Catalysis & Innovat Mat,MOE Key Lab C, Shanghai 200433, Peoples R China.
-
visa färre...
-
Fudan Univ, Collaborat Innovat Ctr Chem Energy Mat, Dept Chem, Key Lab Mol Catalysis & Innovat Mat,MOE Key Lab C, Shanghai 200433, Peoples R China Teoretisk kemi och biologi (creator_code:org_t)
- 2020-03-31
- 2020
- Engelska.
-
Ingår i: Journal of the American Chemical Society. - : American Chemical Society (ACS). - 0002-7863 .- 1520-5126. ; 142:15, s. 6902-6906
- Relaterad länk:
-
https://urn.kb.se/re...
-
visa fler...
-
https://doi.org/10.1...
-
visa färre...
Abstract
Ämnesord
Stäng
- 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.
Ämnesord
- NATURVETENSKAP -- Kemi (hsv//swe)
- NATURAL SCIENCES -- Chemical Sciences (hsv//eng)
Publikations- och innehållstyp
- ref (ämneskategori)
- art (ämneskategori)
Hitta via bibliotek
Till lärosätets databas