Sodiophilicity/potassiophilicity chemistry in sodium/potassium metal anodes

• 来源期刊: 能源化学
• 年，卷（期）: 2020,（12）
• 页码范围: 1-6
• 页数: 6页
• 语种: 英文

摘要

Heteroatom-doped carbon materials have been widely used as sodium(Na)and potassium(K)metal anode frameworks to achieve uniform Na and K depositions.If the origin of the Sodiophilicity and potas-siophilicity of doping sites in heteroatom-doped carbon host are clearly understood,the nucleation and growth behavior of Na and K can be precisely regulated in working batteries.Herein the Sodiophilicity and potassiophilicity chemistries of carbon materials are probed through first-principles calculations.The local dipole of doping functional groups and charge transfer during Na/K deposition are regarded as key principles to reveal the sodiophilic and potassiophilic nature of doping sites.Especially,O-B,O-S,and O-P co-doping strategy are predicted to be effective methods to improve the Sodiophilicity and potassio-philicity of carbon hosts and thus render safe and dendrite-free Na and K metal anodes.This work affords a deep and insightful understanding of Sodiophilicity and potassiophilicity chemistry of Na and K anodes and establishes general principles of designing highly sodiophilic and potassiophilic carbon frameworks.