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| 1 | Improving the intrinsic electronic conductivity of NiMo0_(4) anodes by phosphorous doping for high lithium storage显示文摘Heteroatom doping is one of the most promising strategies toward regulating intrinsically sluggish electronic conductivity and kinetic reaction of transition metal oxides for enhancing their lithium storage.Herein,we designed phosphorus-doped NiMo0_(4) nanorods(P-NiMo0_(4))by using a facile hydrothermal method and subsequent low-temperature phosphorization treatment.Phosphorus doping played an indispensable role in significantly improving electronic conductivity and the Li+diffusion kinetics of NiMo0_(4) materials.Experimental investigation and density functional theory calculation demonstrated that phosphorus doping can expand the interplanar spacing and alter electronic structures of NiMo0_(4) nanorods.Meanwhile,the introduced phosphorus dopant can generate some oxygen vacancies on the surface of NiMo0_(4),which can accelerate Li+diffusion kinetics and provide more active site for lithium storage.As excepted,P-NiMo0_(4) electrode delivered a high specific capacity(1,130 mA·g^(-1) at 100 mA·g^(-1) after 100 cycles),outstanding cycling durability(945 mA·g^(-1) at 500 mA·g^(-1) over 200 cycles),and impressive rate performance(640 mA·g^(-1)at 2,000mA·g^(-1))for lithium ion batteries(LIBs).This work could provide a potential strategy for improving intrinsic conductivity of transition metal oxides as high-performance anodes for LIBs. | Luchao Yue Chaoqun Ma Shihai Yan Zhenguo Wu Wenxi Zhao Qian Liu(ISl) Yonglan Luo Benhe Zhong Fang Zhang Yang Liu Abdulmohsen AN Alshehri Khalid Ahmed Alzahrani Xiaodong Guo Xuping Sun | 2022 | Nano Research2022，15，1： | 1 |
| 2 | 基于多尺度模型的锂离子电池电极微结构优化设计显示文摘锂离子电池(lithium ion batteries,LIBs)具有高比容量和良好的循环稳定性等优点,广泛应用于动力电池和储能领域.然而正极材料理论比容量不高,传统的制备过程会带来电极电化学性能不均匀等问题,制约了LIBs的进一步发展.电极多孔结构优化设计是突破此瓶颈的一种有效方法.本文将以磷酸铁锂(LiFePO4,LFP)为正极电极,锂金属为负极的LIBs作为研究对象,建立了基于粒子Packing的活性材料球形颗粒填充模型和基于三周期极小曲面(triply periodic minimal surface,TPMS)的电极微结构三维模型;研究了电极的比表面积等特征参数对不同类型多孔结构的影响以确定代表性体积单元;建立了LFP正极的LIBs放电过程多尺度数学模型,并对恒电流密度放电过程进行数值模拟.研究表明:粒径为3200 nm的球形颗粒填充电极以5C放电倍率放电时容量减小量为47%,以1C放电倍率放电时电极表面浓度差异为66%;而4种新型TPMS电极以5C放电倍率放电时容量减小量均在1%以内,以1C放电倍率放电时电极表面浓度差异也均在1%以内,极大提升了电池的性能,且Gyroid型结构表现最优.本文对后期LIBs的优化设计具有指导意义,并提供数据和理论基础支持. | 刘彦瑾 罗玖 代耀 符远翔 衡益 | 2024 | 中国科学:技术科学2024，54，1： | 0 |
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