Highly active and stable oxygen vacancies via sulfur modification for efficient catalysis in lithium–sulfur batteries

Abstract

Sulfur modification stabilizes oxygen vacancies at the surface through an “anchor vacancies” method and aids in accelerating the conversion of lithium polysulfides, thereby enhancing both the activity and stability of lithium–sulfur catalysts.

Density Functional Theory Studies on Tuning p-Band Electronic Structures of TiS2-Based Single-Atom Catalysts for Polysulfide Conversion in Lithium–Sulfur Batteries

“…15,53 The Li 2 S 2 −Li 2 S is the rate-determining step in most Li−S battery studies, such as graphene, 54 oxychloride. 12 This applies to the Be-TiS 2 , but the ratedetermining step is Li 2 S 4 −Li 2 S 2 in other M-TiS 2 and the pristine TiS 2 , which is consistent with calculations in other TMDs, such as NbS 2 55 and CoSe 2 . 56 Furthermore, Zhao et al 56 found that the difference between E ZPE and TΔS was less than 0.05 and 0.1 eV, and the same E ZPE and TΔS were used to shorten the calculations.…”

MnS-MoS2 Nanosheets Supported on Mo Plates as Electrocatalyst for the Hydrogen Evolution Reaction

“…At present, the urgent demand for green and sustainable energy carriers is driven by the excessive consumption of fossil energy and the accompanying CO 2 emissions. − Therefore, hydrogen energy (H 2 ) is considered an ideal carbon-free energy to replace fossil energy due to its high mass energy density and clean released energy product. , Among many different hydrogen generation technologies, the hydrogen evolution reaction (HER) has been widely investigated due to its high hydrogen purity and high efficiency. , Because the HER is a thermodynamically upward process, significant efforts have been done to improve its reaction rate and cut down the energy barrier. − Accordingly, it is rewarding to develop fast catalytic kinetics, a low driving overpotential, and highly efficient electrocatalysts. Currently, platinum (Pt) and Pt-based materials are recognized to possess admirable HER activity, but their large-scale applications are severely hampered by their high price and scarcity. , Thus, it is still a crucial challenge to develop highly active, earth-abundant metal-based electrocatalysts.…”

Single-Atom Catalysts with Unsaturated Co–N2 Active Sites Based on a C2N 2D-Organic Framework for Efficient Sulfur Redox Reaction

“…These limitations include the electrical insulating nature of sulfur and lithium sulfide, which limits the rate capability and reduces the utilization of active material. 4,5 Besides, the lithium polysulfides (LiPS) formed during the electrochemical S 8 −Li 2 S redox reaction are soluble in conventional organic electrolytes and can migrate to the anode. 6,7 Therefore, strategies to promote charge transport at the cathode, immobilize the LiPS, and facilitate their reaction kinetics are highly desired.…”

“…Sulfur has received much attention as a potential cathode material in Li-ion batteries owing to its high theoretical capacity (1672 mAh g –1 ), large energy density (2600 Wh kg –1 ), huge abundance, and low cost. − However, the commercial deployment of lithium–sulfur batteries (LSBs) has been hampered by several limitations. These limitations include the electrical insulating nature of sulfur and lithium sulfide, which limits the rate capability and reduces the utilization of active material. , Besides, the lithium polysulfides (LiPS) formed during the electrochemical S 8 –Li 2 S redox reaction are soluble in conventional organic electrolytes and can migrate to the anode. , Therefore, strategies to promote charge transport at the cathode, immobilize the LiPS, and facilitate their reaction kinetics are highly desired. , …”