Single atom catalysts supported on N-doped graphene toward fast kinetic Li−S batteries: a theoretical study

2021 ◽  
Author(s):  
Xu Han ◽  
Zeyun Zhang ◽  
Xuefei Xu
Keyword(s):  
Theoretical Study ◽  
Single Atom ◽  
Discharge Process ◽  
Fast Kinetics ◽  
Shuttle Effect ◽  
Sufficient Stability ◽  
Doped Graphene ◽  
Fast Kinetic ◽  
Kinetics Of ◽  
Charge Discharge

To suppress the shuttle effect of lithium polysulfides and promote fast kinetics of charge−discharge process in Li−S batteries, it is essential to search promising catalysts with sufficient stability and high...

In situ TEM visualization of single atom catalysis in solid-state Na-O2 nanobatteries

2021 ◽  
Author(s):  
Haiming Sun ◽  
Qiunan Liu ◽  
Zhiying Gao ◽  
Lin Geng ◽  
Yanshuai Li ◽  
...  
Keyword(s):  
Solid State ◽  
Catalytic Mechanism ◽  
Single Atom ◽  
In Situ Tem ◽  
Discharge Process ◽  
Catalytic Activities ◽  
Charge Discharge

Single-atom catalysts (SACs) exhibit high catalytic activities in many systems including metal-air batteries. However, the fundamental catalytic mechanism of SACs during charge/discharge process are still unclear. Herein, we report a...

Theoretical study on the catalytic properties of single-atom catalyst stabilised on silicon-doped graphene sheets

2019 ◽  
Vol 118 (7) ◽  
pp. e1652368 ◽  
Author(s):  
Weiguang Chen ◽  
Gao Zhao ◽  
Bingjie Wu ◽  
Yanan Tang ◽  
Da Teng ◽  
...  
Keyword(s):  
Theoretical Study ◽  
Catalytic Properties ◽  
Single Atom ◽  
Graphene Sheets ◽  
Doped Graphene ◽  
Silicon Doped

scholarly journals Dual-Atoms Iron Sites Boost the Kinetics of Reversible Conversion of Polysulfide for High-Performance Lithium-Sulfur Batteries

2021 ◽  
Author(s):  
Yue Qiu ◽  
Xun Sun ◽  
Maoxu Wang ◽  
Xian Wu ◽  
Bo Jiang ◽  
...  
Keyword(s):  
High Performance ◽  
Iron Catalyst ◽  
High Rate ◽  
Single Atom ◽  
Efficient Catalyst ◽  
Shuttle Effect ◽  
Adsorption Structure ◽  
Lithium Sulfur Batteries ◽  
Kinetics Of ◽  
Lithium Sulfur

Abstract Atomically dispersed metal catalysts have offered significant potential for accelerating sluggish kinetics of transformation of lithium polysulfide(LiPS) and inhibiting the shuttle effect to achieve the long-life cycling and high rate of lithium sulfur batteries. However, the end-on adsorption structure between single metal site and polysulfide limits the adsorption capacity and catalytic activity of single atom catalysts. Here, we construct dual-atoms iron sites on nitrogen doped graphene to serve as highly efficient catalyst for lithium sulfur batteries. As expected, the dual-atoms sites can firmly bound polysulfides by forming double Fe-S bonds between polysulfides and the two adjacent iron atoms. Such double-bond adsorption structure is also favorable for the electron transfer and polysulfides activation, so as to reduce the energy barrier and accelerate the reaction kinetics. As a result, the as-obtained dual-atoms iron catalyst can effectively alleviate the shuttle effect and improve the utilization of active sulfur, thus the batteries present high initial capacity of 1615 mAh g-1 at 0.05 C and long-cycle life with a decay rate per cycle as low as 0.015% at 2C over 1000 cycles.

scholarly journals Three-Dimensionally Ordered Macro/Mesoporous Nb2O5/Nb4N5 Heterostructure as Sulfur Host for High-Performance Lithium/Sulfur Batteries

Nanomaterials ◽  
2021 ◽  
Vol 11 (6) ◽  
pp. 1531
Author(s):  
Haoxian Chen ◽  
Jiayi Wang ◽  
Yan Zhao ◽  
Qindan Zeng ◽  
Guofu Zhou ◽  
...  
Keyword(s):  
Mass Transfer ◽  
High Performance ◽  
Discharge Process ◽  
Transformation Mechanism ◽  
Shuttle Effect ◽  
Strong Adsorption ◽  
Lithium Sulfur Batteries ◽  
Sulfur Host ◽  
Lithium Sulfur ◽  
Charge Discharge

The severe shuttle effect of soluble polysulfides hinders the development of lithium–sulfur batteries. Herein, we develop a three-dimensionally ordered macro/mesoporous (3DOM) Nb2O5/Nb4N5 heterostructure, which combines the strong adsorption of Nb2O5 and remarkable catalysis effect of Nb4N5 by the promotion “adsorption-transformation” mechanism in sulfur reaction. Furthermore, the high electrocatalytic activity of Nb4N5 facilitates ion/mass transfer during the charge/discharge process. As a result, cells with the S-Nb2O5/Nb4N5 electrode delivered outstanding cycling stability and higher discharge capacity than its counterparts. Our work demonstrates a new routine for the multifunctional sulfur host design, which offers great potential for commercial high-performance lithium–sulfur batteries.

Single–atom manganese and nitrogen co-doped graphene as low-cost catalysts for the efficient CO oxidation at room temperature

2021 ◽  
Vol 536 ◽  
pp. 147809
Author(s):  
Mingming Luo ◽  
Zhao Liang ◽  
Chao Liu ◽  
Xiaopeng Qi ◽  
Mingwei Chen ◽  
...  
Keyword(s):  
Co Oxidation ◽  
Room Temperature ◽  
Low Cost ◽  
Single Atom ◽  
Doped Graphene ◽  
Co Doped

scholarly journals Porous Carbon Architecture Assembled by Cross-Linked Carbon Leaves with Implanted Atomic Cobalt for High-Performance Li–S Batteries

2021 ◽  
Vol 13 (1) ◽  
Author(s):  
Ruirui Wang ◽  
Renbing Wu ◽  
Chaofan Ding ◽  
Ziliang Chen ◽  
Hongbin Xu ◽  
...  
Keyword(s):  
Active Sites ◽  
High Performance ◽  
Specific Capacity ◽  
Three Dimension ◽  
Zeolitic Imidazolate Framework ◽  
Shuttle Effect ◽  
Promising Solution ◽  
Fading Rate ◽  
Kinetics Of ◽  
Sulfur Cathodes

AbstractThe practical application of lithium–sulfur batteries is severely hampered by the poor conductivity, polysulfide shuttle effect and sluggish reaction kinetics of sulfur cathodes. Herein, a hierarchically porous three-dimension (3D) carbon architecture assembled by cross-linked carbon leaves with implanted atomic Co–N4 has been delicately developed as an advanced sulfur host through a SiO2-mediated zeolitic imidazolate framework-L (ZIF-L) strategy. The unique 3D architectures not only provide a highly conductive network for fast electron transfer and buffer the volume change upon lithiation–delithiation process but also endow rich interface with full exposure of Co–N4 active sites to boost the lithium polysulfides adsorption and conversion. Owing to the accelerated kinetics and suppressed shuttle effect, the as-prepared sulfur cathode exhibits a superior electrochemical performance with a high reversible specific capacity of 695 mAh g−1 at 5 C and a low capacity fading rate of 0.053% per cycle over 500 cycles at 1 C. This work may provide a promising solution for the design of an advanced sulfur-based cathode toward high-performance Li–S batteries.

Theoretical study of the mechanisms for the homogenous gas-phase elimination kinetics of some 2-hydroxynitroalkanes

2006 ◽  
Vol 19 (12) ◽  
pp. 836-840 ◽  
Author(s):  
Rafael Añez ◽  
Rodolfo Izquierdo ◽  
Alba Vidal ◽  
Tania Cordova ◽  
Aníbal Sierraalta ◽  
...  
Keyword(s):  
Gas Phase ◽  
Theoretical Study ◽  
Elimination Kinetics ◽  
Kinetics Of ◽  
Phase Elimination
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