scholarly journals Defect chemistry of disordered solid-state electrolyte Li10GeP2S12

2020 ◽  
Vol 8 (7) ◽  
pp. 3851-3858 ◽  
Author(s):  
Prashun Gorai ◽  
Hai Long ◽  
Eric Jones ◽  
Shriram Santhanagopalan ◽  
Vladan Stevanović
Keyword(s):  
Solid State ◽  
Solid Electrolyte ◽  
Structural Disorder ◽  
Defect Chemistry ◽  
Careful Consideration ◽  
Native Defect ◽  
Solid State Electrolyte ◽  
Solid State Electrolytes

Most solid-state electrolytes exhibit significant structural disorder, which requires careful consideration when modeling the defect energetics. Here, we model the native defect chemistry of a disordered solid electrolyte, Li10GeP2S12.

scholarly journals Defect Chemistry of Disordered Solid-State Electrolyte Li10GeP2S12

2019 ◽  
Author(s):  
Prashun Gorai ◽  
Hai Long ◽  
Eric Jones ◽  
Shriram Santhanagopalan ◽  
Vladan Stevanovic
Keyword(s):  
Solid State ◽  
Solid Electrolytes ◽  
Critical Role ◽  
Structural Complexity ◽  
Structural Disorder ◽  
Defect Chemistry ◽  
Careful Consideration ◽  
Ion Conductivity ◽  
Native Defect ◽  
Dynamics Simulations

Several classes of materials, including thiophosphates, garnets, argyrodites, and anti-perovskites, have been considered as electrolytes for all-solid-state batteries. Native point defects and dopants play a critical role in impeding or facilitating fast ion conduction in these solid electrolytes. Despite its significance, comprehensive studies of the native defect chemistry of well-known solid electrolytes is currently lacking, in part due their compositional and structural complexity. Most of these solid-state electrolytes exhibit significant structural disorder, which requires careful consideration when modeling the point defect energetics. In this work, we model the native defect chemistry of a disordered solid electrolyte, Li<sub>10</sub>GeP<sub>2</sub>S<sub>12</sub> (LGPS), by uniquely combining ensemble statistics, accurate electronic structure, and modern first-principles defect calculations. We find that V<sub>Li</sub>, Li<sub>i</sub>, and P<sub>Ge</sub> are the dominant defects. From these calculations, we determine the statistics of defect energetics; formation energies of the dominant defects vary over ~140 meV. Combined with <i>ab initio</i> molecular dynamics simulations, we find that anti-sites P<sub>Ge</sub> promote Li ion conductivity, suggesting LGPS growth under P-rich/Ge-poor conditions will enhance ion conductivity. To this end, we offer practical experimental guides to enhance ion conductivity.

scholarly journals Defect Chemistry of Disordered Solid-State Electrolyte Li10GeP2S12

2019 ◽  
Author(s):  
Prashun Gorai ◽  
Hai Long ◽  
Eric Jones ◽  
Shriram Santhanagopalan ◽  
Vladan Stevanovic
Keyword(s):  
Solid State ◽  
Solid Electrolytes ◽  
Critical Role ◽  
Structural Complexity ◽  
Structural Disorder ◽  
Defect Chemistry ◽  
Careful Consideration ◽  
Ion Conductivity ◽  
Native Defect ◽  
Dynamics Simulations

Several classes of materials, including thiophosphates, garnets, argyrodites, and anti-perovskites, have been considered as electrolytes for all-solid-state batteries. Native point defects and dopants play a critical role in impeding or facilitating fast ion conduction in these solid electrolytes. Despite its significance, comprehensive studies of the native defect chemistry of well-known solid electrolytes is currently lacking, in part due their compositional and structural complexity. Most of these solid-state electrolytes exhibit significant structural disorder, which requires careful consideration when modeling the point defect energetics. In this work, we model the native defect chemistry of a disordered solid electrolyte, Li<sub>10</sub>GeP<sub>2</sub>S<sub>12</sub> (LGPS), by uniquely combining ensemble statistics, accurate electronic structure, and modern first-principles defect calculations. We find that V<sub>Li</sub>, Li<sub>i</sub>, and P<sub>Ge</sub> are the dominant defects. From these calculations, we determine the statistics of defect energetics; formation energies of the dominant defects vary over ~140 meV. Combined with <i>ab initio</i> molecular dynamics simulations, we find that anti-sites P<sub>Ge</sub> promote Li ion conductivity, suggesting LGPS growth under P-rich/Ge-poor conditions will enhance ion conductivity. To this end, we offer practical experimental guides to enhance ion conductivity.

Hydrated Alkali-B11H14 Salts as Potential Solid-State Electrolytes†

2021 ◽  
Author(s):  
Diego Holanda Pereira de Souza ◽  
Kasper T. Møller ◽  
Stephen A. Moggach ◽  
Terry D Humphries ◽  
Anita D’Angelo ◽  
...  
Keyword(s):  
Solid State ◽  
Ionic Conductivity ◽  
Solid Electrolyte ◽  
High Ionic Conductivity ◽  
Solid State Batteries ◽  
All Solid State Batteries ◽  
Solid State Electrolytes

Metal boron-hydrogen compounds are considered as promising solid electrolyte candidates for the development of all-solid-state batteries (ASSB), owing to the high ionic conductivity exhibited by closo- and nido-boranes. In this...

Benzimidazolium salt-based solid-state electrolytes afford efficient quantum-dot sensitized solar cells

2017 ◽  
Vol 5 (26) ◽  
pp. 13526-13534 ◽  
Author(s):  
Ruijuan Dang ◽  
Yefeng Wang ◽  
Jinghui Zeng ◽  
Zhangjun Huang ◽  
Zhaofu Fei ◽  
...  
Keyword(s):  
Solar Cells ◽  
Solid State ◽  
Quantum Dot ◽  
Solid State Electrolyte ◽  
Benzimidazolium Salt ◽  
Solid State Electrolytes ◽  
Sensitized Solar Cells

A novel solid-state electrolyte based on 1,3-dihexylbenzimidazolium ([DHexBIm]) cations combined with Br−, BF4− or SCN− anions is used in CdS/CdSe sensitized quantum dot sensitized solar cells (QDSSCs).

Zirconia-supported solid-state electrolytes for high-safety lithium secondary batteries in a wide temperature range

2017 ◽  
Vol 5 (47) ◽  
pp. 24677-24685 ◽  
Author(s):  
Renjie Chen ◽  
Wenjie Qu ◽  
Ji Qian ◽  
Nan Chen ◽  
Yujuan Dai ◽  
...  
Keyword(s):  
Ionic Liquids ◽  
Solid State ◽  
Wide Temperature Range ◽  
Solid State Electrolyte ◽  
Lithium Secondary Batteries ◽  
Temperature Range ◽  
Solid State Electrolytes

We fabricate a high-safety solid-state electrolyte by in situ immobilizing ionic liquids within a nanoporous zirconia-supported matrix.

Atomistic insights into the screening and role of oxygen in enhancing the Li+ conductivity of Li7P3S11−xOx solid-state electrolytes

2019 ◽  
Vol 21 (48) ◽  
pp. 26358-26367
Author(s):  
Hanghui Liu ◽  
Zhenhua Yang ◽  
Qun Wang ◽  
Xianyou Wang ◽  
Xingqiang Shi
Keyword(s):  
Solid State ◽  
Ionic Conductivity ◽  
Electrochemical Stability ◽  
Oxygen Doping ◽  
Solid State Electrolyte ◽  
Solid State Electrolytes

A solid-state electrolyte (L7P3S10.25O0.75) with good ionic conductivity and electrochemical stability is successfully designed by oxygen doping.

Electrochemical Stability and Performance of Li2OHCl Substituted by F or Br as Solid-State Electrolyte

2020 ◽  
Vol 18 (2) ◽  
Author(s):  
Yong-Seok Lee ◽  
Su-Yeon Jung ◽  
Kwang-Sun Ryu
Keyword(s):  
Solid State ◽  
Solid Electrolyte ◽  
Solid Electrolytes ◽  
Interstitial Site ◽  
Electrochemical Stability ◽  
The Other ◽  
Chemical Bonds ◽  
Solid State Electrolyte ◽  
And Performance

Abstract Li2(OH)0.9F0.1Cl, Li2(OH)0.9Br0.1Cl, and Li2OHCl0.8Br0.2 solid electrolytes were synthesized and compared with Li2OHCl to analyze the exact improvement mechanism for Li+ conductivity and electrochemical stability of Li2OHX-type solid electrolyte. The substituted materials exhibit improved electrochemical stability and Li+ conductivity Li2OHCl. Among these materials, Li(OH)0.9F0.1Cl has improved Li+ conductivity due to a reduction of the OH– concentration and the conductivity of Li2OHCl0.8Br0.2 was also increased compared with Li2OHCl due to the large interstitial site. In the case of Li2(OH)0.9Br0.1Cl, it had the highest Li+ conductivity and good Li+ migration by both effects because of a larger interstitial site and low OH− concentration. Furthermore, the electrochemical stability of four materials was compared due to the different structural stabilities and strengths of binary chemical bonds such as Li–X, H–X, and O–X. Comparing the Li+ conductivity of Li2(OH)0.9F0.1Cl and Li2OHCl0.8Br0.2, the Li+ conductivity is influenced by the OH− concentration unlike the other mechanisms.

Reducing the thickness of solid-state electrolyte membranes for high-energy lithium batteries

2021 ◽  
Author(s):  
Jingyi Wu ◽  
Lixia Yuan ◽  
Wuxing Zhang ◽  
Zhen Li ◽  
Xiaolin Xie ◽  
...  
Keyword(s):  
Solid State ◽  
Energy Density ◽  
Lithium Batteries ◽  
High Energy ◽  
High Energy Density ◽  
Solid State Electrolyte ◽  
Electrolyte Membranes ◽  
Solid State Batteries ◽  
Solid State Electrolytes

This review summarizes the strategies to reduce the thickness of solid-state electrolytes for the fabrication of high energy-density solid-state batteries.

Application Progress of Rare Earth Doping in Solid Electrolyte of Lithium Ion Battery

2015 ◽  
Vol 733 ◽  
pp. 253-256
Author(s):  
Wen Long Li ◽  
Bin Guo ◽  
Wei Jie Hu ◽  
Ming De Chen ◽  
Hong Zhang ◽  
...  
Keyword(s):  
Rare Earth ◽  
Solid State ◽  
Solid Electrolyte ◽  
Lithium Ion Battery ◽  
Lithium Ion ◽  
Development Trend ◽  
Rare Earth Doping ◽  
Solid State Electrolyte ◽  
Overall Performance ◽  
The Development Trend

The development trend of all solid state lithium ion battery and the importance of lithium ion solid electrolyte in all solid state lithium ion batteries is introduced in this paper. The application of rare earth doping in solid electrolyte of lithium ion battery is summarized. We suggest that rare earth doping is favorable for the increase of the lithium ion battery electrolyte conductivity, thus it is beneficial to further improve the overall performance of all solid state lithium ion battery. The development prospect of rare earth doping in solid electrolyte of all solid state lithium ion battery is looked forward. In addition, we deem that the above mentioned technology is an important research aspect of solid state electrolyte.

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