Electron-Extraction Engineering Induced 1T''-1T' Phase Transition of Re(0.75) V(0.25) Se(2) for Ultrafast Sodium Ion Storage.
Electron-Extraction Engineering Induced 1T''-1T' Phase Transition of Re(0.75) V(0.25) Se(2) for Ultrafast Sodium Ion Storage.
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DOI：
10.1002/advs.202205680
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发表时间：
2022-12
期刊：
影响因子：
15.1
通讯作者：
Huang, Fuqiang
中科院分区：
文献类型：
--
作者：
Fang, Yuqiang;Lv, Ximeng;Lv, Zhuoran;Wang, Yang;Zheng, Gengfeng;Huang, Fuqiang
通过控制 d 电子数来诱导过渡金属二硫属化物的新相由于其新颖的结构和物理化学性质而引起了人们的广泛兴趣。 1T”ReSe2 是一种很有前景的钠存储候选材料，但电子电导率低和活性位点有限阻碍了其电化学容量。在此，成功合成了具有锯齿状链的新相1T’Re0.75V0.25Se2晶体（P2/m）。 1T’’-1T’相变是由于 V 原子掺杂后通过电子提取而导致 5d 轨道电子重组的结果。 1T’Re0.75V0.25Se2的电导率比1T’’ReSe2高2.7×105倍。此外，密度泛函理论（DFT）计算表明，1T'Re0.75V0.25Se2比1T''ReSe2具有更大的层间距、更低的键合能和Na+离子的迁移能垒。结果，1T'Re0.75V0.25Se2电极在50℃下表现出优异的倍率性能，为203mAhg−1，并且在钠存储5000次循环后没有容量衰减，这优于大多数报道的钠离子负极材料。这种1T’Re0.75V0.25Se2为电子、催化和能源存储等各种应用提供了一个新平台。 Re1-xVxSe2从1T”相到1T”相的相变可以通过减少d电子数来实现。新相1T’Re0.75V0.25Se2具有更高的电导率、更大的层间距离和更低的Na+离子迁移能垒，从而在50℃下具有203mAhg−1的优异倍率性能，并且在钠存储5000次循环后没有容量衰减。
Inducing new phases of transition metal dichalcogenides by controlling the d‐electron‐count has attracted much interest due to their novel structures and physicochemical properties. 1T’’ ReSe2 is a promising candidate for sodium storage, but the low electronic conductivity and limited active sites hinder its electrochemical capacity. Herein, new‐phase 1T’ Re0.75V0.25Se2 crystals (P2/m) with zig‐zag chains are successfully synthesized. The 1T’’‐1T’ phase transition results from the electronic reorganization of 5d orbitals via electron extraction after V‐atom doping. The electrical conductivity of 1T’ Re0.75V0.25Se2 is 2.7 × 105 times higher than that of 1T’’ ReSe2. Moreover, density functional theory (DFT) calculations reveal that 1T’ Re0.75V0.25Se2 has a larger interlayer spacing, lower bonding energy, and migration energy barrier for Na+ ions than 1T’’ ReSe2. As a result, 1T’ Re0.75V0.25Se2 electrode shows an excellent rate capability of 203 mAh g−1 at 50 C with no capacity fading over 5000 cycles for sodium storage, which is superior to most reported sodium‐ion anode materials. This 1T’ Re0.75V0.25Se2 provides a new platform for various applications such as electronics, catalysis, and energy storage. The phase transition of Re1‐xVxSe2 from 1T’’ to 1T’ phase can be achieved by decreasing the d‐electron count. The new‐phase 1T’ Re0.75V0.25Se2 has higher conductivity, larger interlayer distance, and lower migration energy barrier of Na+ ions, which results in an excellent rate capability of 203 mAh g−1 at 50 C with no capacity fading over 5000 cycles for sodium storage.
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影响因子：
19
作者：
Rahman, Mohammad;Davey, Kenneth;Qiao, Shi-Zhang
通讯作者：
Qiao, Shi-Zhang
影响因子：
3.3
作者：
MARZIK, JV;KERSHAW, R;WOLD, A
通讯作者：
WOLD, A
影响因子：
15
作者：
Lai, Zhuangchai;Chaturvedi, Apoorva;Zhang, Hua
通讯作者：
Zhang, Hua
影响因子：
3.7
作者：
Dahal, R.;Deng, L. Z.;Chu, C. W.
通讯作者：
Chu, C. W.
DOI：
10.1002/advs.202002358
发表时间：
2020-11
期刊：
Advanced science (Weinheim, Baden-Wurttemberg, Germany)
影响因子：
--
作者：
Shang C;Hu L;Luo D;Kempa K;Zhang Y;Zhou G;Wang X;Chen Z
通讯作者：
Chen Z