The sulfur adsorption on gold surface is a hot topic in catalysis, electrochemistry and chemical sensors. However, the multiple structures of adsorbed sulfur and sulfur-induced reconstruction in gold substrate topography are still open problems until now. Here we performed an extensively study on sulfur adsorption on Au(111) surface based on First-Principles calculation. Our results show that the sulfur adsorption with additional Au atoms is not favorable. Thus, the well-known lifting of the herringbone reconstruction of Au(111) after sulfur adsorption can't be attributed to the lifting gold atoms. More importantly, we proposed an extremely stable configuration of S-Au(111) surface characterized by (√3 × √3)R30° at 0.33 coverage, in which each S atom is chemisorbed in 3-fold coordinated sites and all the surface-Au atoms are terminated. Finally, the good agreement between our simulated STM and LEED images and experimental observations illuminates the truth that our proposed configuration is also favorable in experiment. This super stable S-adsorbed surface can be used as a starting point for the growth of two dimensional transition metal sulfides.
Download full-text PDF |
Source |
|---|---|
| http://dx.doi.org/10.1016/j.jmgm.2023.108494 | DOI Listing |
Publication Analysis
Top Keywords
Similar Publications
Nitrogen-Doped Two-Dimensional Carbon Nanosheets for High-Sulfur-Loading Lithium-Sulfur Batteries via a Lignin-Based High-Internal-Phase Pickering Emulsion Strategy.
ACS Appl Mater Interfaces
January 2025
College of Materials and Energy, South China Agricultural University, Guangzhou 510642, China.
Attributable to sulfur's significant theoretical energy density, its affordability, and its environmentally friendly nature, lithium-sulfur batteries (LSBs) are recognized as advanced energy storage technologies with considerable potential. Nonetheless, the solubility and migration of polysulfides within the electrolyte substantially hinder their practical implementation. To address this issue, we developed a nitrogen-doped two-dimensional (2D) wavy carbon nanosheet material (NCN) by using the Pickering emulsion templating method.
View Article and Find Full Text PDFImpact of climate change that stems from gaseous emissions require sustainable materials to eliminate sulfur. This study involves the modification of humic acid with magnetite nanoparticles (Fe₃O₄ NPs) by a microwave-assisted synthesis of an absorbent with reasonable pore volume and diameter for elimination of thiophenic compounds from fuel. The magnetic nano adsorbent designated Fe3O4@HA was characterized using advanced spectroscopic techniques, while their structure and morphology were analyzed through DLS, XPS, XRD, FT-IR, TGA, FESEM-EDX, VSM, and BET-N2 techniques.
View Article and Find Full Text PDFLight-driven in-situ synthesis of nano-sulfur and graphene oxide composites for efficient removal of heavy metal ions.
J Hazard Mater
January 2025
State Key Lab of Geohazard prevention & Geoenvironment protection, College of Materials and Chemistry & Chemical Engineering, Chengdu University of Technology, Chengdu 610059, China. Electronic address:
Sulfur nanoparticles (SNPs) and their composites are promising for heavy metal adsorption, yet current SNPs often lack surface S, leading to low affinity toward heavy metal and ease of aggregation. Here, we report a simple light-driven method for facile prepare SNPs with surfaces enriched with S and in-situ load them onto graphene oxide (GO) to fabricate GO-S composites. Under illumination, the O generated by photosensitizer phloxine B was able to oxidize S into elemental SNPs.
View Article and Find Full Text PDFEnhanced ALD Nucleation on Polymeric Separator for Improved Li-S Batteries.
ACS Appl Mater Interfaces
January 2025
Department of Chemical Engineering, Stanford University, Stanford, California 94305, United States.
Lithium-sulfur (Li-S) batteries, with their superior energy densities, are emerging as promising successors to conventional lithium-ion batteries. However, their widespread adoption is hindered by challenges such as the shuttle effect of polysulfides, which affects discharge capacity and cycling stability. This study explores the transformative potential of atomic layer deposition (ALD) of AlO on commercial PP/PE/PP separators (Celgard), combined with the use of UV ozone exposure to enhance ALD nucleation on the separator surface, to address these challenges.
View Article and Find Full Text PDFTungsten Carbide Embedded in a Porous Carbon Nanofiber Sandwich Structure Electrode: A Strategy to Improve the Performance of Lithium-Sulfur Batteries.
Langmuir
January 2025
College of Materials and Metallurgy, Guizhou University, Guiyang 550025, China.
Lithium-sulfur (Li-S) batteries hold significant promise due to high energy density, cost-effectiveness, and ecological sustainability, but their practical applications are constrained by suboptimal electrochemical performance and the detrimental shuttle effect. Herein, a porous, sandwich-structured composite was developed to function as a freestanding cathode designed for Li-S batteries without aluminum foil. Porous carbon nanofibers (PCNF) were employed as the conductive matrix for sulfur, with tungsten carbide (WC) being incorporated to furnish abundant active sites for polysulfide adsorption.
View Article and Find Full Text PDFWant AI Summaries of new PubMed Abstracts delivered to your In-box?
Enter search terms and have AI summaries delivered each week - change queries or unsubscribe any time!