Journal ArticleDOI
MoSe2‐Covered N,P‐Doped Carbon Nanosheets as a Long‐Life and High‐Rate Anode Material for Sodium‐Ion Batteries
Abstract:
MoSe2 grown on N,P-co-doped carbon nanosheets is synthesized by a solvothermal reaction followed with a high-temperature calcination. This composite has an interlayer spacing of MoSe2 expanded to facilitate sodium-ion diffusion, MoSe2 immobilized on carbon nanosheets to improve charge-transfer kinetics, and N and P incorporated into carbon to enhance its interaction with active species upon cycling. These features greatly improve the electrochemical performance of this composite, as compared to all the controls. It presents a specific capacity of 378 mAh g−1 after 1000 cycles at 0.5 A g−1, corresponding to 87% of the capacity at the second cycle. Ex situ Raman spectra and high-resolution transmission electron microscopy images confirm that it is element Se, rather than MoSe2, formed after the charging process. The interaction of the active species with modified carbon is simulated using density functional theory to explain this excellent stability. The superior rate capability, where the capacity at 15 A g−1 equals ≈55% of that at 0.5 A g−1, could be associated with the significant contribution of pseudocapacitance. By pairing with homemade Na3V2(PO4)3/C, this composite also exhibits excellent performances in full cells.read more
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Journal ArticleDOI
Recent progress on sodium ion batteries: potential high-performance anodes
TL;DR: In this article, the most recent developments on high-performance anode materials for SIBs are summarized, and different reaction mechanisms, challenges associated with these materials, and effective approaches to enhance performance are discussed.
Journal ArticleDOI
High-Performance Reversible Aqueous Zn-Ion Battery Based on Porous MnOx Nanorods Coated by MOF-Derived N-Doped Carbon
Yanqing Fu,Qiliang Wei,Gaixia Zhang,Xiaomin Wang,Jihai Zhang,Yongfeng Hu,Dongniu Wang,Lucia Zuin,Tao Zhou,Yucheng Wu,Yucheng Wu,Shuhui Sun +11 more
Journal ArticleDOI
MoSe2/N‐Doped Carbon as Anodes for Potassium‐Ion Batteries
Junmin Ge,Ling Fan,Jue Wang,Qingfeng Zhang,Zhaomeng Liu,Erjin Zhang,Qian Liu,Xinzhi Yu,Bingan Lu +8 more
Journal ArticleDOI
Metal Organic Framework-Templated Synthesis of Bimetallic Selenides with Rich Phase Boundaries for Sodium-Ion Storage and Oxygen Evolution Reaction.
Guozhao Fang,Qichen Wang,Jiang Zhou,Yongpeng Lei,Zixian Chen,Ziqing Wang,Anqiang Pan,Shuquan Liang +7 more
TL;DR: Benefiting from the abundant phase boundaries, CoSe2/ZnSe exerts low Na+ adsorption energy and fast diffusion kinetics for sodium-ion batteries and high activity for oxygen evolution reaction.
Journal ArticleDOI
Carbon-Coated MoSe2/MXene Hybrid Nanosheets for Superior Potassium Storage
TL;DR: The rational design and fabrication of hierarchical carbon-coated MoSe2/MXene hybrid nanosheets as a superior anode material for PIBs is presented, which achieves a high reversible capacity and an outstanding rate performance.
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From ultrasoft pseudopotentials to the projector augmented-wave method
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TL;DR: In this paper, the formal relationship between US Vanderbilt-type pseudopotentials and Blochl's projector augmented wave (PAW) method is derived and the Hamilton operator, the forces, and the stress tensor are derived for this modified PAW functional.
Journal ArticleDOI
Iterative minimization techniques for ab initio total-energy calculations: molecular dynamics and conjugate gradients
TL;DR: In this article, the authors describe recent technical developments that have made the total-energy pseudopotential the most powerful ab initio quantum-mechanical modeling method presently available, and they aim to heighten awareness of the capabilities of the method in order to stimulate its application to as wide a range of problems in as many scientific disciplines as possible.