Adsorption and diffusion of potassium on layered SnO: a DFT analysis

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成果类型：

期刊论文

作者：

Peng, Qiong;Rehman, Javed;Butt, Mehwish Khalid;Yang, Zhao;Wang, Shuanhu;...

通讯作者：

Javed Rehman<&wdkj&>Mohamed F. Shibl

作者机构：

[Peng, Qiong] Hengyang Normal Univ, Inst Condensed Phys, Hengyang 421002, Peoples R China.

[Peng, Qiong] Hengyang Normal Univ, Coll Phys & Elect Engn, Hengyang 421002, Peoples R China.

[Peng, Qiong] Natl Univ Def Technol, Dept Phys, Changsha 410073, Hunan, Peoples R China.

[Rehman, Javed] Baluchistan Univ Informat Technol Engn & Managemen, Dept Phys, Quetta 87300, Baluchistan, Pakistan.

[Butt, Mehwish Khalid; Wang, Shuanhu] Northwestern Polytech Univ, Sch Phys Sci & Technol, Shaanxi Key Lab Condensed Matter Struct & Properti, Xian 710072, Peoples R China.

通讯机构：

[Javed Rehman] D

[Mohamed F. Shibl] R

Department of Physics, Baluchistan University of Information Technology, Engineering and Management Sciences (BUITEMS), Quetta, Pakistan<&wdkj&>Renewable Energy Program, Center for Sustainable Development, College of Arts and Sciences, Qatar University, Doha, Qatar

语种：

英文

期刊：

Journal of Materials Science

ISSN：

0022-2461

年：

2023

卷：

期：

页码：

3208-3218

DOI：

10.1007/s10853-023-08224-w

基金类别：

Qatar National Library; Scientific Research Fund of Hunan Provincial Education Department [21B0637, RSP2022R492]; King Saud University, Riyadh, Saudi Arabia; Natural Science Basic Research Plan in Shaanxi Province of China [2021JM-041]

机构署名：

本校为第一机构

院系归属：

物理与电子工程学院

摘要：

Owing to their low cost, potassium-ion batteries (PIBs) are considered the best alternatives to Li-ion batteries (LIBs) due to the high abundance and reactivity of K. However, the large ionic size of K than Li, hinder the commercial availability of PIBs. Herein, DFT calculations are employed to shed light on the electrochemical performance of 2D SnO as an anode for PIBs. The electronic properties of bare SnO reveal semiconducting nature. However, it is metallic with a small amount of K-adsorption. As an anode for PIBs, 2D SnO has a very low ave...

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Adsorption and diffusion of potassium on layered SnO: a DFT analysis

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