Deciphering the Modulation Essence of p Bands in Co-Based Compounds on Li-S Chemistry

Abstract

This work deciphers the modulation essence of p bands on Li-S chemistry by systematically studying the kinetic behaviors of Li-S chemistry on Co-based compounds with fixed metal cation and varied non-metal anions. The p bands originated from the non-metal anions can benefit the interfacial charge interaction by tuning the electron energy of the valence band, endowing S@rGO/CoP with unprecedented rate performance for Li-S batteries. It offers a new vision to rationally design highly efficient materials for Li-S batteries.

Enhancing Catalytic Activity of Titanium Oxide in Lithium–Sulfur Batteries by Band Engineering

“…Similarly, a promoter with a low active specific surface does not allow for adsorption with sufficient surface coverage. [17] As mentioned above, the intrinsic activity and active sites of the catalyst can also be tuned and increased by surface assembly with selected host materials. DFT calculations were first performed to uncover the feasibility of TiO 2−x as a promoter in Li-S batteries (Figure 1D-F; Figure S2, Supporting Information).…”

“…An extra peak located at 54.9 eV appears, referring to lithiumoxygen (LiO) bond. [17] Recently, Chiang and co-workers reported that the nucleation and growth of Li 2 S under certain overpotentials obeys the laws of classical chemical deposition. Similarly, CNT@TiO 2 also affords strong binding strength with LiPS ( Figure S14B-D, Supporting Information).…”

Multifunctional Transition Metal‐Based Phosphides in Energy‐Related Electrocatalysis

“…The proposed lithium polysulfide‐binding mechanism on the surface oxidation layer of TMPs may lay the foundation of rationally designing high performance TMPs cathode materials for Li–S batteries. In comparison, Qian and co‐workers investigated the reaction kinetics of Li–S chemistry on different cobalt‐based compounds (Co 3 O 4 , CoS 2 , Co 4 N, and CoP) . With the use of CoP as the sulfur scaffold, the best electrochemical performance was obtained.…”

Nb2O5/RGO Nanocomposite Modified Separators with Robust Polysulfide Traps and Catalytic Centers for Boosting Performance of Lithium–Sulfur Batteries

“…Cyclic voltammetry (CV) tests were conducted on a symmetric Li 2 S 6 cell to demonstrate the electrocatalytic activity of the Nb 2 O 5 /RGO composite. Specifically, the voltammogram of the cell with the Nb 2 O 5 /RGO electrodes displays distinct peaks (Figure d), which are ascribed to the oxidation/reduction of LiPSs . In the first cycle, two peaks at −0.343 and −0.466 V (Peaks a and b) correspond to the oxidation of Li 2 S 6 to form S 8 on the working electrode .…”