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New 4V-Class and Zero-Strain Cathode Material for Na-Ion Batteries
Chemistry of Materials ( IF 7.2 ) Pub Date : 2017-09-01 00:00:00 , DOI: 10.1021/acs.chemmater.7b02477 Jongsoon Kim 1 , Gabin Yoon 2 , Myeong Hwan Lee , Hyungsub Kim 3 , Seongsu Lee 3 , Kisuk Kang 2
Chemistry of Materials ( IF 7.2 ) Pub Date : 2017-09-01 00:00:00 , DOI: 10.1021/acs.chemmater.7b02477 Jongsoon Kim 1 , Gabin Yoon 2 , Myeong Hwan Lee , Hyungsub Kim 3 , Seongsu Lee 3 , Kisuk Kang 2
Affiliation
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Here, we introduce Na3V(PO3)3N as a novel 4V-class and zero-strain cathode material for Na-ion batteries. Structural analysis based on a combination of neutron and X-ray diffraction (XRD) reveals that the Na3V(PO3)3N crystal contains three-dimensional channels that are suitable for facile Na diffusion. The Na (de)intercalation is observed to occur at ∼4 V vs Na/Na+ in the Na cell via the V3+/V4+ redox reaction with ∼67% retention of the initial capacity after over 3000 cycles. The remarkable cycle stability is attributed to the near-zero volume change (∼0.24%) and unique centrosymmetric distortion that occurs during a cycle despite the large ionic size of Na ions for (de)intercalation, as demonstrated by ex situ XRD analysis and first-principles calculations. We also demonstrate that the Na3V(PO3)3N electrode can display outstanding power capability with ∼84% of the theoretical capacity retained at 10C, even though the particle sizes are on the micrometer scale (>5 μm), which is attributed to its intrinsic three-dimensional open-crystal framework. The combination of this high power capability and extraordinary cycle stability makes Na3V(PO3)3N a new potential cathode material for Na-ion batteries.
中文翻译：
用于钠离子电池的新型4V级零应变阴极材料
在这里，我们介绍Na 3 V（PO 3）3 N作为用于Na离子电池的新型4V级零应变阴极材料。基于中子和X射线衍射（XRD）结合的结构分析表明，Na 3 V（PO 3）3 N晶体包含适合于Na扩散的三维通道。相对于Na / Na +在Na电池中通过V 3+ / V 4+发生的Na（脱）嵌入发生在约4 V超过3000个循环后，氧化还原反应保留了约67％的初始容量。出色的循环稳定性归因于接近零的体积变化（〜0.24％）和循环中发生的独特的中心对称畸变，尽管用于（去）插入的Na离子的离子尺寸很大，这通过异位XRD分析和第一个实验证明了这一点。-原理计算。我们还证明了Na 3 V（PO 3）3N电极在10C时仍可保持约84％的理论容量，表现出出色的功率能力，即使其颗粒尺寸在微米级（> 5μm）上，这也归因于其固有的三维开放晶体框架。这种高功率能力和出色的循环稳定性相结合，使Na 3 V（PO 3）3 N成为用于Na离子电池的新型潜在阴极材料。
更新日期：2017-09-04
中文翻译：
用于钠离子电池的新型4V级零应变阴极材料
在这里，我们介绍Na 3 V（PO 3）3 N作为用于Na离子电池的新型4V级零应变阴极材料。基于中子和X射线衍射（XRD）结合的结构分析表明，Na 3 V（PO 3）3 N晶体包含适合于Na扩散的三维通道。相对于Na / Na +在Na电池中通过V 3+ / V 4+发生的Na（脱）嵌入发生在约4 V超过3000个循环后，氧化还原反应保留了约67％的初始容量。出色的循环稳定性归因于接近零的体积变化（〜0.24％）和循环中发生的独特的中心对称畸变，尽管用于（去）插入的Na离子的离子尺寸很大，这通过异位XRD分析和第一个实验证明了这一点。-原理计算。我们还证明了Na 3 V（PO 3）3N电极在10C时仍可保持约84％的理论容量，表现出出色的功率能力，即使其颗粒尺寸在微米级（> 5μm）上，这也归因于其固有的三维开放晶体框架。这种高功率能力和出色的循环稳定性相结合，使Na 3 V（PO 3）3 N成为用于Na离子电池的新型潜在阴极材料。
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