scholarly journals Route to high-energy density polymeric nitrogen t-N via He−N compounds

2018 ◽  
Vol 9 (1) ◽  
Author(s):  
Yinwei Li ◽  
Xiaolei Feng ◽  
Hanyu Liu ◽  
Jian Hao ◽  
Simon A. T. Redfern ◽  
...  
Keyword(s):  
Energy Density ◽  
High Energy ◽  
High Energy Density ◽  
Polymeric Nitrogen ◽  
N Compounds

Conduction transition and electronic conductivity enhancement of cesium azide by pressure-directed grain boundary engineering

2021 ◽  
Author(s):  
Qinglin Wang ◽  
Xiaofeng Wang ◽  
Jianfu Li ◽  
Tianru Qin ◽  
Dandan Sang ◽  
...  
Keyword(s):  
Energy Density ◽  
Grain Boundary ◽  
Alkali Metal ◽  
Electronic Conductivity ◽  
High Energy ◽  
High Energy Density ◽  
Grain Boundary Engineering ◽  
Conductivity Enhancement ◽  
High Energy Density Material ◽  
Polymeric Nitrogen

Alkali metal azides have attracted considerable experimental and theoretical efforts as they are the promising starting materials for the synthesis of polymeric nitrogen, a high-energy-density material. This work reports the...

scholarly journals Predicting the crystal structure of $$\hbox {N}_5\hbox {AsF}_6$$ high energy density material using ab initio evolutionary algorithms

2021 ◽  
Vol 11 (1) ◽  
Author(s):  
El Mostafa Benchafia ◽  
Xianqin Wang ◽  
Zafar Iqbal ◽  
Sufian Abedrabbo
Keyword(s):  
Crystal Structure ◽  
Energy Density ◽  
Ab Initio ◽  
High Energy ◽  
High Energy Density ◽  
Marginal Stability ◽  
Phonon Modes ◽  
High Energy Density Material ◽  
Polymeric Nitrogen ◽  
Prediction Approach

Abstract$$\hbox {N}_5\hbox {AsF}_6$$ N 5 AsF 6 is the first successfully synthesized salt that has a polymeric nitrogen moeity ($$\hbox {N}_5^+$$ N 5 + ). Although 12 other $$\hbox {N}_5^+$$ N 5 + salts followed, with $$\hbox {N}_5\hbox {SbF}_6$$ N 5 SbF 6 and $$\hbox {N}_5\hbox {Sb}_2\hbox {F}_{11}$$ N 5 Sb 2 F 11 being the most stable, the crystal structure of $$\hbox {N}_5\hbox {AsF}_6$$ N 5 AsF 6 remains unknown. Currently, it is impossible to experimentally determine the structures of $$\hbox {N}_5\hbox {AsF}_6$$ N 5 AsF 6 due to its marginal stability and explosive nature. Here, following an ab initio evolutionary prediction and using only the stoichiometry of $$\hbox {N}_5\hbox {AsF}_6$$ N 5 AsF 6 as a starting point, we were able to reveal the crystal structure of this high energy density material (HEDM). The $$\hbox {C}_{2V}$$ C 2 V symmetry of the $$\hbox {N}_5^+$$ N 5 + cation, as suggested from earlier investigations, is confirmed to be the symmetry adopted by this polymeric nitrogen within the crystal. This result gave full confidence in the validity of this crystal prediction approach. While stability of the $$\hbox {N}_5^+$$ N 5 + within the crystal is found to be driven by electronic considerations, the marginal stability of this HEDM is found to be related to a partial softening of its phonon modes.

scholarly journals High-Energy Density and Superhard Nitrogen-Rich B-N Compounds

2015 ◽  
Vol 115 (10) ◽  
Author(s):  
Yinwei Li ◽  
Jian Hao ◽  
Hanyu Liu ◽  
Siyu Lu ◽  
John S. Tse
Keyword(s):  
Energy Density ◽  
High Energy ◽  
High Energy Density ◽  
N Compounds

Predicting High Energy Density Materials using Abinitio Evolutionary Algorithms: The Results for N5AsF6

2021 ◽  
Author(s):  
El Mostafa Benchafia ◽  
Xianqin Wang ◽  
Zafar Iqbal ◽  
Sufian Abedrabbo
Keyword(s):  
Crystal Structure ◽  
Energy Density ◽  
High Energy ◽  
High Energy Density ◽  
Marginal Stability ◽  
Phonon Modes ◽  
Starting Point ◽  
High Energy Density Material ◽  
Polymeric Nitrogen ◽  
Prediction Approach

Abstract N5AsF6 is the first successfully synthesized salt that has a polymeric nitrogen moeity (N5+). Although 12 other N5+ salts followed, with N5SbF6 and N5Sb2F11 being the most stable, the crystal structure of N5AsF6 remains unknown. Currently, it is impossible to experimentally determine the structures of N5AsF6 due to its marginal stability and explosive nature. Here, following an ab initio evolutionary prediction and using only the stoichiometry of N5AsF6 as a starting point, we were able to reveal the crystal structure of this high energy density material (HEDM). The C2V symmetry of the N5+ cation, as suggested from earlier investigations, is confirmed to be the symmetry adopted by this polymeric nitrogen within the crystal. This result gave full confidence in the validity of this crystal prediction approach. While stability of the N5+ within the crystal is found to be driven by electronic considerations, the marginal stability of this HEDM is found to be related to a partial softening of its phonon modes.

A HIGH ENERGY DENSITY ZINC/OXYGEN BATTERY SYSTEM

1966 ◽  
Author(s):  
S. CHODOSH ◽  
E. KATSOULIS ◽  
M. ROSANSKY
Keyword(s):  
Energy Density ◽  
High Energy ◽  
High Energy Density ◽  
Battery System

Efficient Co-Harvesting of Solar Energy and Low-Grade Heat by Molecular Photoswitches for High Energy Density, Long-Term Stable Solar Thermal Battery

2019 ◽  
Author(s):  
Zhao-Yang Zhang ◽  
Tao LI
Keyword(s):  
Energy Density ◽  
Solar Energy ◽  
High Performance ◽  
High Energy ◽  
Solar Thermal ◽  
High Energy Density ◽  
Low Grade ◽  
Thermal Battery ◽  
Low Grade Heat

Solar energy and ambient heat are two inexhaustible energy sources for addressing the global challenge of energy and sustainability. Solar thermal battery based on molecular switches that can store solar energy and release it as heat has recently attracted great interest, but its development is severely limited by both low energy density and short storage stability. On the other hand, the efficient recovery and upgrading of low-grade heat, especially that of the ambient heat, has been a great challenge. Here we report that solar energy and ambient heat can be simultaneously harvested and stored, which is enabled by room-temperature photochemical crystal-to-liquid transitions of small-molecule photoswitches. The two forms of energy are released together to produce high-temperature heat during the reverse photochemical phase change. This strategy, combined with molecular design, provides high energy density of 320-370 J/g and long-term storage stability (half-life of about 3 months). On this basis, we fabricate high-performance, flexible film devices of solar thermal battery, which can be readily recharged at room temperature with good cycling ability, show fast rate of heat release, and produce high-temperature heat that is >20<sup> o</sup>C higher than the ambient temperature. Our work opens up a new avenue to harvest ambient heat, and demonstrate a feasible strategy to develop high-performance solar thermal battery.

Efficient Co-Harvesting of Solar Energy and Low-Grade Heat by Molecular Photoswitches for High Energy Density, Long-Term Stable Solar Thermal Battery

2019 ◽  
Author(s):  
Zhao-Yang Zhang ◽  
Tao LI
Keyword(s):  
Energy Density ◽  
Solar Energy ◽  
High Performance ◽  
High Energy ◽  
Solar Thermal ◽  
High Energy Density ◽  
Low Grade ◽  
Thermal Battery ◽  
Low Grade Heat

Solar energy and ambient heat are two inexhaustible energy sources for addressing the global challenge of energy and sustainability. Solar thermal battery based on molecular switches that can store solar energy and release it as heat has recently attracted great interest, but its development is severely limited by both low energy density and short storage stability. On the other hand, the efficient recovery and upgrading of low-grade heat, especially that of the ambient heat, has been a great challenge. Here we report that solar energy and ambient heat can be simultaneously harvested and stored, which is enabled by room-temperature photochemical crystal-to-liquid transitions of small-molecule photoswitches. The two forms of energy are released together to produce high-temperature heat during the reverse photochemical phase change. This strategy, combined with molecular design, provides high energy density of 320-370 J/g and long-term storage stability (half-life of about 3 months). On this basis, we fabricate high-performance, flexible film devices of solar thermal battery, which can be readily recharged at room temperature with good cycling ability, show fast rate of heat release, and produce high-temperature heat that is >20<sup> o</sup>C higher than the ambient temperature. Our work opens up a new avenue to harvest ambient heat, and demonstrate a feasible strategy to develop high-performance solar thermal battery.

Si Nanowire Anode Prepared by Chemical Etching for High Energy Density Lithium-ion Battery

2013 ◽  
Vol 28 (11) ◽  
pp. 1207-1212 ◽  
Author(s):  
Jian-Wen LI ◽  
Ai-Jun ZHOU ◽  
Xing-Quan LIU ◽  
Jing-Ze LI
Keyword(s):  
Energy Density ◽  
Lithium Ion Battery ◽  
Chemical Etching ◽  
Lithium Ion ◽  
High Energy ◽  
High Energy Density ◽  
Si Nanowire
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