当前位置：
X-MOL 学术
›
Phys. Chem. Chem. Phys.
›
论文详情
Our official English website, www.x-mol.net, welcomes your
feedback! (Note: you will need to create a separate account there.)
Comparative electrochemical energy storage performance of cobalt sulfide and cobalt oxide nanosheets: experimental and theoretical insights from density functional theory simulations
Physical Chemistry Chemical Physics ( IF 2.9 ) Pub Date : 2020/02/26 , DOI: 10.1039/c9cp06434f Rutuparna Samal 1, 2, 3, 4, 5 , Soumen Mondal 6, 7, 8, 9 , Abhijeet Sadashiv Gangan 9, 10, 11, 12 , Brahmananda Chakraborty 9, 10, 11, 12, 13 , Chandra Sekhar Rout 1, 2, 3, 4, 5
Physical Chemistry Chemical Physics ( IF 2.9 ) Pub Date : 2020/02/26 , DOI: 10.1039/c9cp06434f Rutuparna Samal 1, 2, 3, 4, 5 , Soumen Mondal 6, 7, 8, 9 , Abhijeet Sadashiv Gangan 9, 10, 11, 12 , Brahmananda Chakraborty 9, 10, 11, 12, 13 , Chandra Sekhar Rout 1, 2, 3, 4, 5
Affiliation
|
In this study, we have carried out studies on supercapacitor performance comparing cobalt oxide (Co3O4) with cobalt sulfide (Co3S4) nanosheets grown using a facile electrodeposition approach. We have investigated the origin of enhanced energy storage performance of Co3S4 as compared to Co3O4 both by supported experiments and density functional theory investigations. Cobalt oxide exhibits a specific capacitance of 200 F g−1 at a current density of 2 A g−1, whereas a high specific capacitance of 558 F g−1 was achieved in the case of the Co3S4 nanosheets. The enhanced supercapacitor performance of Co3S4 is due to the high surface area, better wettability and high conductivity of the nanosheets. The asymmetric device exhibited a maximum energy density of 47.3 W h kg−1 with a power density of 2388.4 W kg−1 for Co3S4//MWCNT. The electrochemical impedance spectroscopic analysis revealed that Co3O4 has a substantially bigger semicircle as compared to Co3S4, confirming inferior charge-transfer characteristics in Co3O4. Density functional theory (DFT) simulations revealed that bulk structures of both Co3S4 and Co3O4 have an anti-ferromagnetic (AFM) configuration with Co atoms at the tetrahedral site having an opposite spin (∼2.55 μB each) and those at the octahedral sites being non-magnetic. Co3S4 nanosheets are found to be more conducting due to the presence of higher density of states near the Fermi level and a smaller bandgap compared to Co3O4 which support the observed experimental data on enhanced energy storage performance of Co3S4.
中文翻译：
硫化钴和氧化钴纳米片的比较电化学储能性能：来自密度泛函理论模拟的实验和理论见解
在这项研究中，我们已经进行了超级电容器性能的比较研究，比较了使用便捷电沉积方法生长的氧化钴（Co 3 O 4）和硫化钴（Co 3 S 4）纳米片。通过辅助实验和密度泛函理论研究，我们已经研究了Co 3 S 4与Co 3 O 4相比具有增强的储能性能的起源。氧化钴在2 A g -1的电流密度下具有200 F g -1的比电容，而在Co 3的情况下，则可实现558 F g -1的高比电容。S 4纳米片。Co 3 S 4超级电容器性能的提高归因于纳米片材的高表面积，更好的润湿性和高电导率。对于Co 3 S 4 // MWCNT，该不对称器件表现出47.3 W h kg -1的最大能量密度和2388.4 W kg -1的功率密度。电化学阻抗谱分析表明，与Co 3 S 4相比，Co 3 O 4具有明显更大的半圆，证实了Co 3 O 4中的电荷转移特性较差。。密度泛函理论（DFT）的模拟显示的该块结构体两者共同3小号4和Co 3 ö 4具有抗铁磁（AFM）与在四面体位置的Co原子具有相反的自旋（~2.55配置μ B各自）和八面体部位的那些是非磁性的。发现与Co 3 O 4相比，Co 3 S 4纳米片的导电性更高，这是因为在费米能级附近存在更高的态密度和更小的带隙，这支持了关于Co 3 S 4增强的储能性能的实验数据。。
更新日期：2020-04-15
中文翻译：
硫化钴和氧化钴纳米片的比较电化学储能性能：来自密度泛函理论模拟的实验和理论见解
在这项研究中，我们已经进行了超级电容器性能的比较研究，比较了使用便捷电沉积方法生长的氧化钴（Co 3 O 4）和硫化钴（Co 3 S 4）纳米片。通过辅助实验和密度泛函理论研究，我们已经研究了Co 3 S 4与Co 3 O 4相比具有增强的储能性能的起源。氧化钴在2 A g -1的电流密度下具有200 F g -1的比电容，而在Co 3的情况下，则可实现558 F g -1的高比电容。S 4纳米片。Co 3 S 4超级电容器性能的提高归因于纳米片材的高表面积，更好的润湿性和高电导率。对于Co 3 S 4 // MWCNT，该不对称器件表现出47.3 W h kg -1的最大能量密度和2388.4 W kg -1的功率密度。电化学阻抗谱分析表明，与Co 3 S 4相比，Co 3 O 4具有明显更大的半圆，证实了Co 3 O 4中的电荷转移特性较差。。密度泛函理论（DFT）的模拟显示的该块结构体两者共同3小号4和Co 3 ö 4具有抗铁磁（AFM）与在四面体位置的Co原子具有相反的自旋（~2.55配置μ B各自）和八面体部位的那些是非磁性的。发现与Co 3 O 4相比，Co 3 S 4纳米片的导电性更高，这是因为在费米能级附近存在更高的态密度和更小的带隙，这支持了关于Co 3 S 4增强的储能性能的实验数据。。
京公网安备 11010802027423号