Affiliation:
1. School of Chemical Engineering and Technology Haihe Laboratory of Sustainable Chemical Transformations Tianjin Key Laboratory of Applied Catalysis Science and Engineering Tianjin University Tianjin 300350 China
2. School of Future Technology Tianjin University Tianjin 300350 China
3. School of Chemical Engineering and Technology Collaborative Innovation Center of Chemical Science & Engineering Tianjin University Tianjin 300350 China
Abstract
AbstractNa2S is a key material in sodium‐sulfur batteries and its single‐monolayer film may also be a new 2D material. Herein, the results are first reported by STM, XPS, and DFT simulation that the Na2S single‐monolayer film shows different atomic structures depending on the underlying metals, and these structures can be changed by thermal annealing. All structures are well supported by DFT simulation on corresponding Na2S up, down, and standing models, as well as the NaS in‐plane model. Further, a wide bandgap of Na2S single‐monolayer film is measured, which decreases from Au(111) to Ag(111) and Cu(111) due to the different Na2S interactions with metal substrates. Finally, it is demonstrated that dibenzo 18‐crown‐6‐ether molecules can grow on phase VI of Na2S film at room temperature, as compared with preferred metal surfaces and Na2S phase III structure.
Funder
National Natural Science Foundation of China
Fundamental Research Funds for the Central Universities