Charge transport mechanisms in potassium superoxide

Literature Information

Publication Date 2020-09-30
DOI 10.1039/D0CP03540H
Impact Factor 3.676
Authors

Zongxiang Hu, Wenchang Tan, Shunning Li, Feng Pan


View Original

Abstract

Rechargeable metal–air batteries based on superoxide discharge products are attractive due to the facile one-electron redox process of O2/O2−. Recently, a K–O2 battery has been reported that showed a significantly lower discharge/charge potential gap than the Li–O2 battery systems. Here, we perform first-principles calculations on potassium superoxide (KO2) to unravel the charge transport mechanism in this discharge product. The concentration and mobility of intrinsic carriers are calculated. The results show that hole polarons and negatively charged potassium ion vacancies are the main charge carriers. The conductivity associated with polaron hopping (2 × 10−12 S cm−1) is 8 orders of magnitude higher than that of Li2O2, and the ionic conductivity has a comparable value (1 × 10−13 S cm−1). Our calculation results can rationalize the experimental findings and provide a theoretical basis for the understanding of superoxide discharge products in metal–air batteries.

Related Literature

Contents list

2023-11-14 Front/Back Matter

DOI: 10.1039/D3CC90371K

Transformations of carbohydrate derivatives enabled by photocatalysis and visible light photochemistry

Daniel J. Gorelik, Shrey P. Desai, Sofia Jdanova, Julia A. Turner, Mark S. Taylor

2024-01-02 Review Article

DOI: 10.1039/D3SC05400D

Multicolor circularly polarized luminescence inversion of metal–organic supramolecular polymers

Kuo Fu, Guofeng Liu

2023-10-25 Communication

DOI: 10.1039/D3CC04068B

ATP-responsive Mn(ii)-based T1 contrast agent for MRI

Lawerence Kenning, Graeme J. Stasiuk

2023-09-19 Communication

DOI: 10.1039/D3CC03430E

Recent applications of organic cages in sensing and separation processes in solution

Sonia La Cognata, Valeria Amendola

2023-10-25 Feature Article

DOI: 10.1039/D3CC04522F

Organocatalytic activation of hydrogen peroxide: towards green and sustainable oxidations

Efthymios T. Poursaitidis, Petros L. Gkizis, Ierasia Triandafillidi, Christoforos G. Kokotos

2023-12-18 Perspective

DOI: 10.1039/D3SC05618J

Trapping of soluble, KCl-stabilized Cu(i) hydrides with CO2 gives crystalline formates

Alexander Grasruck, Giorgio Parla, Lisha Lou, Jens Langer, Christian Neiß, Alberto Herrera, Sybille Frieß, Andreas Görling, Günter Schmid, Romano Dorta

2023-11-07 Communication

DOI: 10.1039/D3CC03033D

Spark plasma sintered catalytic nickel–copper alloy and carbon nanotube electrodes for the hydrogen evolution reaction

Cédric Espinet, Simon Amigues, David Mesguich, Christophe Laurent

2023-10-23 Communication

DOI: 10.1039/D3CC04472F

Graphdiyne chelated AuNPs for ultrasensitive electrochemical detection of tyrosine

Zhuanzhuan Shi, Yunpeng Li, Xiaoshuai Wu, Kaiwen Zhang, Jiatao Gu, Wei Sun, Chang Ming Li, Chun Xian Guo

2023-10-23 Communication

DOI: 10.1039/D3CC04148D

Facile synthesis of supported CuNi nano-clusters as an electrochemical CO2 reduction catalyst with broad potential range

Jiale Wang, Fan Li, Runhua Li, Qian Xiang, Wencong Zhang, Chengyi Song, Peng Tao, Wen Shang

2023-10-16 Communication

DOI: 10.1039/D3CC03758D

You might also like

Compound Q&A

What are the main uses of (5-Sulfamoyl-3-pyridinyl)boronic acid (CAS: 951233-61-7)?

(5-Sulfamoyl-3-pyridinyl)boronic acid is primarily used in chemical synthesis, p...

951233-61-7(5-Sulfamoyl-3-pyrid...
Compound Q&A

How is Benzyl 2-methyl-2-(methylsulfonyl)-4-pentenoate (CAS: 1942858-50-5) typically synthesized?

Benzyl 2-methyl-2-(methylsulfonyl)-4-pentenoate is typically synthesized via est...

1942858-50-5Benzyl 2-methyl-2-(m...
Compound Q&A

What precautions should be taken when handling 8-Fluoroquinolin-6-ol (CAS: 209353-22-0)?

When handling 8-Fluoroquinolin-6-ol (CAS: 209353-22-0), it is important to use p...

209353-22-08-Fluoroquinolin-6-o...
Compound Q&A

What are the physical and chemical properties of 1,3-Dibromo-5-(2-methyl-2-propanyl)benzene (CAS: 129316-09-2)?

1,3-Dibromo-5-(2-methyl-2-propanyl)benzene (CAS: 129316-09-2) is a crystalline c...

129316-09-21,3-Dibromo-5-(2-met...
Compound Q&A

What industries use Ethyl 7-chloro-4-oxo-1-(1,3-thiazol-2-yl)-1,4-dihydro-1,8-naphthyridine-3-carboxylate (CAS: 174726-87-5)?

Ethyl 7-chloro-4-oxo-1-(1,3-thiazol-2-yl)-1,4-dihydro-1,8-naphthyridine-3-carbox...

174726-87-5Ethyl 7-chloro-4-oxo...
Compound Q&A

What precautions should be taken when handling Delta-7-Avenasterol (CAS: 23290-26-8)?

When handling Delta-7-Avenasterol (CAS: 23290-26-8), it is important to wear app...

23290-26-8Delta-7-Avenasterol
872992-20-6N-({(5R)-3-[3-Fluoro...
Compound Q&A

What precautions should be taken when handling 2-Methyl-2-proanyl 4-[(2-aminophenyl)amino]-1-piperidinecarboxylate (CAS: 79099-00-6)?

When handling 2-Methyl-2-proanyl 4-[(2-aminophenyl)amino]-1-piperidinecarboxylat...

79099-00-62-Methyl-2-propanyl ...
Compound Q&A

What is N-Methyl-4-chlorobenzylamine hydrochloride (CAS: 65542-24-7)?

N-Methyl-4-chlorobenzylamine hydrochloride (CAS: 65542-24-7) is a organic compou...

65542-24-7N-Methyl-4-chloroben...
Compound Q&A

Is [2-(Dodecyloxy)ethoxy]acetic acid (CAS: 27306-90-7) safe?

[2-(Dodecyloxy)ethoxy]acetic acid (CAS: 27306-90-7) is generally considered safe...

27306-90-7[2-(Dodecyloxy)ethox...

Source Journal

Physical Chemistry Chemical Physics

Physical Chemistry Chemical Physics
CiteScore: 5.5
Self-citation Rate: 10.3%
Articles per Year: 3036

Physical Chemistry Chemical Physics (PCCP) is an international journal co-owned by 19 physical chemistry and physics societies from around the world. This journal publishes original, cutting-edge research in physical chemistry, chemical physics and biophysical chemistry. To be suitable for publication in PCCP, articles must include significant innovation and/or insight into physical chemistry; this is the most important criterion that reviewers and Editors will judge against when evaluating submissions. The journal has a broad scope and welcomes contributions spanning experiment, theory, computation and data science. Topical coverage includes spectroscopy, dynamics, kinetics, statistical mechanics, thermodynamics, electrochemistry, catalysis, surface science, quantum mechanics, quantum computing and machine learning. Interdisciplinary research areas such as polymers and soft matter, materials, nanoscience, energy, surfaces/interfaces, and biophysical chemistry are welcomed if they demonstrate significant innovation and/or insight into physical chemistry. Joined experimental/theoretical studies are particularly appreciated when complementary and based on up-to-date approaches.

Recommended Suppliers

Disclaimer
This page provides academic journal information for reference and research purposes only. We are not affiliated with any journal publishers and do not handle publication submissions. For publication-related inquiries, please contact the respective journal publishers directly.
If you notice any inaccuracies in the information displayed, please contact us at support@chemtradehub.com. We will promptly review and address your concerns.