New Insight on Open‐Structured Sodium Vanadium Oxide as High‐Capacity and Long Life Cathode for Zn–Ion Storage: Structure, Electrochemistry, and First‐Principles Calculation

2020 ◽  
Vol 10 (40) ◽  
pp. 2001595 ◽  
Author(s):  
Jae Hyeon Jo ◽  
Yauhen Aniskevich ◽  
Jongsoon Kim ◽  
Ji Ung Choi ◽  
Hee Jae Kim ◽  
...  
Keyword(s):  
Vanadium Oxide ◽  
First Principles ◽  
High Capacity ◽  
First Principles Calculation ◽  
Storage Structure ◽  
Ion Storage ◽  
Long Life

First-Principles Study on the Hydrogen Storage of Sandwich-Type Dimetallocenes

2013 ◽  
Vol 677 ◽  
pp. 149-152
Author(s):  
Bo An ◽  
Hai Yan Zhu
Keyword(s):  
Hydrogen Storage ◽  
First Principles ◽  
Storage Capacity ◽  
High Capacity ◽  
First Principles Calculation ◽  
Hydrogen Storage Materials ◽  
Ambient Conditions ◽  
Hydrogen Storage Capacity ◽  
Hydrogen Molecules ◽  
Sandwich Type

The paper mainly focuses on the ability of absorbing hydrogen molecule of the dimetallocene (C5H5)2TM2(TM=Ti/Zn/Cu/Ni) based on the first-principles calculation. The result indicates that these compounds can adsorb up to eight hydrogen molecules, the binding energy is 0.596eV/H2 for Cp2Ti2, 0.802eV/H2 for Cp2Zn2, 0.422eV/H2 for Cp2Cu2 and 0.182eV/H2 for Cp2Ni2 respectively. The corresponding gravimetric hydrogen-storage capacity is 7.1wt% for Cp2Ti2, 6.2wt% for Cp2Zn2, 6.3wt% for Cp2Cu2 and 6.5wt% for Cp2Ni2 respectively. These sandwich-type organometallocenes proposed in this work are favorable for reversible adsorption and desorption of hydrogen under ambient conditions. These predictions will likely provide a new route for developing novel high-capacity hydrogen-storage materials.

Boosting the charge transfer of Li2TiSiO5 using nitrogen-doped carbon nanofibers: towards high-rate, long-life lithium-ion batteries

Nanoscale ◽  
2020 ◽  
Vol 12 (38) ◽  
pp. 19702-19710 ◽  
Author(s):  
Junfang Liu ◽  
Die Su ◽  
Li Liu ◽  
Zhixiao Liu ◽  
Su Nie ◽  
...  
Keyword(s):  
Charge Transfer ◽  
Lithium Ion Batteries ◽  
Carbon Nanofibers ◽  
First Principles ◽  
Lithium Ion ◽  
High Rate ◽  
First Principles Calculation ◽  
Nitrogen Doped ◽  
Long Life ◽  
Nitrogen Doped Carbon

The nitrogen-doped carbon encapsulated Li2TiSiO5 (the insulator for transferring electrons by first-principles calculation) nanofibers were fabricated. And unexpectedly, it can boost the charge transfer effectively.

Calcium ion pinned vanadium oxide cathode for high-capacity and long-life aqueous rechargeable zinc-ion batteries

2020 ◽  
Vol 63 (12) ◽  
pp. 1767-1776
Author(s):  
Min Du ◽  
Feng Zhang ◽  
Xiaofei Zhang ◽  
Wentao Dong ◽  
Yuanhua Sang ◽  
...  
Keyword(s):  
Vanadium Oxide ◽  
Calcium Ion ◽  
High Capacity ◽  
Zinc Ion ◽  
Oxide Cathode ◽  
Long Life

Pseudocapacitive Li-ion storage boosts high-capacity and long-life performance in multi-layer CoFe2O4/rGO/C composite

2018 ◽  
Vol 30 (4) ◽  
pp. 045401 ◽  
Author(s):  
Cong Wu ◽  
Junyong Wang ◽  
Qinglin Deng ◽  
Mengjiao Li ◽  
Kai Jiang ◽  
...  
Keyword(s):  
High Capacity ◽  
Ion Storage ◽  
Li Ion ◽  
Long Life

scholarly journals Structural water engaged disordered vanadium oxide nanosheets for high capacity aqueous potassium-ion storage

2017 ◽  
Vol 8 (1) ◽  
Author(s):  
Daniel Scott Charles ◽  
Mikhail Feygenson ◽  
Katharine Page ◽  
Joerg Neuefeind ◽  
Wenqian Xu ◽  
...  
Keyword(s):  
Vanadium Oxide ◽  
High Capacity ◽  
Potassium Ion ◽  
Structural Water ◽  
Ion Storage

Reversible lithiation–delithiation chemistry in cobalt based metal organic framework nanowire electrode engineering for advanced lithium-ion batteries

2016 ◽  
Vol 4 (40) ◽  
pp. 15411-15419 ◽  
Author(s):  
Huawei Song ◽  
Lisha Shen ◽  
Jing Wang ◽  
Chengxin Wang
Keyword(s):  
Lithium Ion Batteries ◽  
Metal Organic Framework ◽  
High Capacity ◽  
Lithium Ion ◽  
Capacity Retention ◽  
Ion Storage ◽  
Metal Organic ◽  
Li Ion ◽  
Long Life ◽  
Charge Discharge

Impressive Li-ion storage, fast charge–discharge and ultra long life spans more than 1000 cycles with high capacity retention are simultaneously obtained in CoCOP nanowires.

Intercalation-Type V2O3 with Fast Mg2+ Diffusion Kinetics for High-Capacity and Long-Life Mg-Ion Storage

2020 ◽  
Vol 8 (43) ◽  
pp. 16164-16171
Author(s):  
Cunyuan Pei ◽  
Mengda Jin ◽  
Yameng Yin ◽  
Fangyu Xiong ◽  
Yalong Jiang ◽  
...  
Keyword(s):  
High Capacity ◽  
Diffusion Kinetics ◽  
Ion Storage ◽  
Long Life

FIRST PRINCIPLES CALCULATION OF THE PHONON SPECTRA OF SOLIDS

1981 ◽  
Vol 42 (C6) ◽  
pp. C6-625-C6-627 ◽  
Author(s):  
P. E. Van Camp ◽  
V. E. Van Doren ◽  
J. T. Devreese
Keyword(s):  
First Principles ◽  
First Principles Calculation ◽  
Phonon Spectra
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