scholarly journals Tomography and Spectroscopy of Structure and Degradation in Carbon Electrode Materials for Energy Conversion and Storage

2014 ◽  
Vol 20 (S3) ◽  
pp. 504-505
Author(s):  
Elliot Padgett ◽  
Megan E. Holtz ◽  
David A. Muller
Molecules ◽  
2020 ◽  
Vol 25 (9) ◽  
pp. 2233 ◽  
Author(s):  
Sergei Manzhos

Development of new functional materials for novel energy conversion and storage technologies is often assisted by ab initio modeling. Specifically, for organic materials, such as electron and hole transport materials for perovskite solar cells, LED (light emitting diodes) emitters for organic LEDs (OLEDs), and active electrode materials for organic batteries, such modeling is often done at the molecular level. Modeling of aggregate-state effects is onerous, as packing may not be known or large simulation cells may be required for amorphous materials. Yet aggregate-state effects are essential to estimate charge transport rates, and they may also have substantial effects on redox potentials (voltages) and optical properties. This paper summarizes recent studies by the author’s group of aggregation effects on the electronic properties of organic materials used in optoelectronic devices and in organic batteries. We show that in some cases it is possible to understand the mechanism and predict specific performance characteristics based on simple molecular models, while in other cases the inclusion of effects of aggregation is essential. For example, it is possible to understand the mechanism and predict the overall shape of the voltage-capacity curve for insertion-type organic battery materials, but not the absolute voltage. On the other hand, oligomeric models of p-type organic electrode materials can allow for relatively reliable estimates of voltages. Inclusion of aggregate state modeling is critically important for estimating charge transport rates in materials and interfaces used in optoelectronic devices or when intermolecular charge transfer bands are important. We highlight the use of the semi-empirical DFTB (density functional tight binding) method to simplify such calculations.


2021 ◽  
pp. 229-261
Author(s):  
Chioma E. Njoku ◽  
Innocent S. Ike ◽  
Adeolu A. Adediran ◽  
Cynthia C. Nwaeju

2014 ◽  
Vol 2 (47) ◽  
pp. 20182-20188 ◽  
Author(s):  
Jingchao Zhang ◽  
Yong Yang ◽  
Zhicheng Zhang ◽  
Xiaobin Xu ◽  
Xun Wang

The design of cost-effective electrocatalysts and supercapacitor electrode materials with delicate hierarchical morphologies and enhanced functionalities has great potential in energy conversion and storage processes.


Energies ◽  
2021 ◽  
Vol 14 (23) ◽  
pp. 8183
Author(s):  
Chenchen Ji ◽  
Haonan Cui ◽  
Hongyu Mi ◽  
Shengchun Yang

As newly emerged 2D layered transition metal carbides or carbonitrides, MXenes have attracted growing attention in energy conversion and storage applications due to their exceptional high electronic conductivity, ample functional groups (e.g., -OH, -F, -O), desirable hydrophilicity, and superior dispersibility in aqueous solutions. The significant advantages of MXenes enable them to be intriguing structural units to engineer advanced MXene-based nanocomposites for electrochemical storage devices with remarkable performances. Herein, this review summarizes the current advances of MXene-based materials for energy storage (e.g., supercapacitors, lithium ion batteries, and zinc ion storage devices), in which the fabrication routes and the special functions of MXenes for electrode materials, conductive matrix, surface modification, heteroatom doping, crumpling, and protective layer to prevent dendrite growth are highlighted. Additionally, given that MXene are versatile for self-assembling into specific configuration with geometric flexibility, great efforts about methodologies (e.g., vacuum filtration, mask-assisted filtration, screen printing, extrusion printing technique, and directly writing) of patterned MXene-based composite film or MXene-based conductive ink for fabricating more types of energy storage device were also discussed. Finally, the existing challenges and prospects of MXene-based materials and growing trend for further energy storage devices are also presented.


1981 ◽  
Vol 54 (6) ◽  
pp. 1640-1644 ◽  
Author(s):  
Hiroshi Hada ◽  
Kazuchiyo Takaoka ◽  
Masahiko Saikawa ◽  
Yoshiro Yonezawa

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