N-substituted defective graphene sheets: promising electrode materials for Na-ion batteries

RSC Advances ◽  
2015 ◽  
Vol 5 (22) ◽  
pp. 17042-17048 ◽  
Author(s):  
Hao Shen ◽  
Dewei Rao ◽  
Xiaoming Xi ◽  
Yuzhen Liu ◽  
Xiangqian Shen
Keyword(s):  
Charge Transfer ◽  
Dft Calculations ◽  
Electrode Materials ◽  
Graphene Sheets ◽  
Adsorption Energies ◽  
Defective Graphene

ViaDFT calculations, we theoretically demonstrated that the N doped defective structures are beneficial for Na adsorption and that the charge transfer can significantly influence the adsorption energies.

Porous diatomite-mixed 1,4,5,8-NTCDA nanowires as high-performance electrode materials for lithium-ion batteries

Nanoscale ◽  
2019 ◽  
Vol 11 (34) ◽  
pp. 15881-15891 ◽  
Author(s):  
Yong Xu ◽  
Jun Chen ◽  
Ze'en Xiao ◽  
Caixia Ou ◽  
Weixia Lv ◽  
...  
Keyword(s):  
Charge Transfer ◽  
Lithium Ion Batteries ◽  
High Performance ◽  
Composite Electrode ◽  
Electrode Materials ◽  
Lithium Ion ◽  
Rate Performance ◽  
Transfer Impedance ◽  
Lower Charge

A novel porous diatomite composite electrode composed of NTCDA nanowires exhibits lower charge transfer impedance, higher capacity and better rate performance.

Copper substituted nickel ferrite nanoparticles anchored onto the graphene sheets as electrode materials for supercapacitors fabrication

2019 ◽  
Vol 45 (6) ◽  
pp. 6759-6766 ◽  
Author(s):  
Bushra Bashir ◽  
Abdur Rahman ◽  
Humera Sabeeh ◽  
Muhammad Azhar Khan ◽  
Mohamed F. Aly Aboud ◽  
...  
Keyword(s):  
Nickel Ferrite ◽  
Electrode Materials ◽  
Ferrite Nanoparticles ◽  
Graphene Sheets ◽  
Nickel Ferrite Nanoparticles

Synthesis and photophysical properties of extended π conjugated naphthalimides

2017 ◽  
Vol 16 (4) ◽  
pp. 539-546 ◽  
Author(s):  
C. Rémy ◽  
C. Allain ◽  
I. Leray
Keyword(s):  
Charge Transfer ◽  
Dft Calculations ◽  
Photophysical Properties ◽  
Photoinduced Charge Transfer ◽  
Time Resolved ◽  
Time Resolved Spectroscopy ◽  
Td Dft ◽  
Photoinduced Charge

A series of π conjugated naphthalimide derivatives were prepared. Compounds display efficient photoinduced charge transfer in solution which was rationalized by time-resolved spectroscopy and modelled by TD-DFT calculations.

Algorithm for Generating Defective Graphene Sheets

2009 ◽  
Vol 5 (7) ◽  
pp. 1877-1882 ◽  
Author(s):  
David R. Nutt ◽  
Hilary Weller
Keyword(s):  
Graphene Sheets ◽  
Defective Graphene

Adsorption mechanism of CO molecule on Al(111) surface: periodic DFT investigation

2018 ◽  
Vol 96 (12) ◽  
pp. 993-999 ◽  
Author(s):  
Chenhong Xu ◽  
Suqin Zhou ◽  
Jing Chen ◽  
Yuxiang Wang ◽  
Lei He
Keyword(s):  
Charge Transfer ◽  
Density Functional ◽  
Adsorption Mechanism ◽  
Bond Activation ◽  
Aluminum Surface ◽  
Hollow Site ◽  
Functional Theory ◽  
Wide Range ◽  
Adsorption Of Co ◽  
Adsorption Energies

The adsorption mechanism of the CO molecule on Al(111) surface has been investigated systematically at the atom-molecule level by the method of periodic density functional theory. The adsorption energies, adsorption structures, charge transfer, and density of states have been calculated in a wide range of coverage. It is found that the hcp-hollow site is the energetically favorable site. A significant positive correlation has been found between the adsorption energy (Eads) and coverage. The adsorbed CO molecules are almost perpendicular on the surface with the C atom facing the surface. There is an obvious charge transfer from Al atoms to the C atom; the Al atoms that have interaction with the C atom offer the most charge. The 4σ, 1π, and 5σ molecular orbitals of CO are found to contribute to bonding with the Al. The charges filling in the 2π molecular orbital contribute to C–O bond activation. In conclusion, the passivation of aluminum surface and the activation of CO molecule occur simultaneously in the adsorption of CO on Al surface.

scholarly journals Improving the Performance of Zn-Air Batteries with N-Doped Electroexfoliated Graphene

Materials ◽  
2020 ◽  
Vol 13 (9) ◽  
pp. 2115 ◽  
Author(s):  
Anna Ilnicka ◽  
Malgorzata Skorupska ◽  
Piotr Romanowski ◽  
Piotr Kamedulski ◽  
Jerzy P. Lukaszewicz
Keyword(s):  
Catalytic Activity ◽  
Photoelectron Spectroscopy ◽  
Noble Metals ◽  
Electrode Materials ◽  
Low Cost ◽  
Rapid Development ◽  
Reduction Reaction ◽  
Graphene Sheets ◽  
High Catalytic Activity ◽  
Energy Storage Devices

The constantly growing demand for active, durable, and low-cost electrocatalysts usable in energy storage devices, such as supercapacitors or electrodes in metal-air batteries, has triggered the rapid development of heteroatom-doped carbon materials, which would, among other things, exhibit high catalytic activity in the oxygen reduction reaction (ORR). In this article, a method of synthesizing nitrogen-doped graphene is proposed. Few-layered graphene sheets (FL-graphene) were prepared by electrochemical exfoliation of commercial graphite in a Na2SO4 electrolyte with added calcium carbonate as a separator of newly-exfoliated FL-graphene sheets. Exfoliated FL-graphene was impregnated with a suspension of green algae used as a nitrogen carrier. Impregnated FL-graphene was carbonized at a high temperature under the flow of nitrogen. The N-doped FL-graphene was characterized through instrumental methods: high-resolution transmission electron microscopy, X-ray photoelectron spectroscopy, and Raman spectroscopy. Electrochemical performance was determined using cyclic voltamperometry and linear sweep voltamperometry to check catalytic activity in ORR. The N-doped electroexfoliated FL-graphene obeyed the four-electron transfer pathways, leading us to further test these materials as electrode components in rechargeable zinc-air batteries. The obtained results for Zn-air batteries are very important for future development of industry, because the proposed graphene electrode materials do not contain any heavy and noble metals in their composition.

Insights into the electrochemical capacitor performance of transition metal–vertical graphene nanosheet hybrid electrodes

2019 ◽  
Vol 21 (45) ◽  
pp. 25196-25205 ◽  
Author(s):  
Gopinath Sahoo ◽  
S. R. Polaki ◽  
P. Anees ◽  
Subrata Ghosh ◽  
Sandip Dhara ◽  
...  
Keyword(s):  
Electrical Conductivity ◽  
Charge Transfer ◽  
Transition Metal ◽  
Dft Calculations ◽  
Ab Initio ◽  
Electrochemical Capacitor ◽  
Electrochemical Capacitance ◽  
Graphene Nanosheet ◽  
Capacitor Performance

The enhanced electrochemical capacitance of the transition metal-vertical graphene nanosheet hybrid electrodes are correlated with the increase in charge transfer supported ab initio DFT calculations and increase in electrical conductivity.

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