Influence of the Conditions for Obtaining Nanocomposite Electrode Materials Mny/MWCNT on their electrocapacity characteristics

2019 ◽  
Keyword(s):  
Electrode Materials

A novel ligand with –NH2 and –COOH-decorated Co/Fe-based oxide for an efficient overall water splitting: dual modulation roles of active sites and local electronic structure

2020 ◽  
Vol 10 (18) ◽  
pp. 6266-6273
Author(s):  
Yalan Zhang ◽  
Zebin Yu ◽  
Ronghua Jiang ◽  
Jung Huang ◽  
Yanping Hou ◽  
...  
Keyword(s):  
Electronic Structure ◽  
Water Splitting ◽  
Energy Demand ◽  
Active Sites ◽  
Electrode Materials ◽  
Global Energy ◽  
Overall Water Splitting ◽  
Local Electronic Structure ◽  
Electrochemical Water Splitting

Excellent electrochemical water splitting with remarkable durability can provide a solution to satisfy the increasing global energy demand in which the electrode materials play an important role.

NANOELECTROCATALYSTS BASED PALLADIUM FOR FUEL CELLS WITH DIRECT OXIDATION OF FORMIC ACID

2019 ◽  
Vol 6 (3) ◽  
pp. 104-107
Author(s):  
Marina Vladimirovna Lebedeva ◽  
Alexey Petrovich Antropov ◽  
Alexander Victorovich Ragutkin ◽  
Nicolay Andreevich Yashtulov
Keyword(s):  
Formic Acid ◽  
Palladium Nanoparticles ◽  
Oxidation Reaction ◽  
Electrode Materials ◽  
Formic Acid Oxidation ◽  
Energy Sources ◽  
Acid Oxidation ◽  
Direct Oxidation ◽  
Atomic Force ◽  
Formic Acid Oxidation Reaction

In paper electrode materials with palladium nanoparticles on polymer matrix substrates for energy sources have been formed. Nanocomposites were investigated by atomic force and scanning electron microscopy. The catalytic activity of formed electrodes in the formic acid oxidation reaction was evaluated by voltammetry method.

SYNTHESIS OF HYDROGEN IN ACOUSTOPLASMA DISCHARGE IN A LIQUID-PHASE STREAM

2019 ◽  
pp. 42-48 ◽  
Author(s):  
N. A. Bulychev
Keyword(s):  
Liquid Phase ◽  
Organic Compounds ◽  
Electrode Materials ◽  
Solid Phase ◽  
Plasma Discharge ◽  
Raw Material ◽  
Two Phase ◽  
Reduced Pressure ◽  
External Power Source ◽  
Phase Medium

In this paper, the plasma discharge in a high-pressure fluid stream in order to produce gaseous hydrogen was studied. Methods and equipment have been developed for the excitation of a plasma discharge in a stream of liquid medium. The fluid flow under excessive pressure is directed to a hydrodynamic emitter located at the reactor inlet where a supersonic two-phase vapor-liquid flow under reduced pressure is formed in the liquid due to the pressure drop and decrease in the flow enthalpy. Electrodes are located in the reactor where an electric field is created using an external power source (the strength of the field exceeds the breakdown threshold of this two-phase medium) leading to theinitiation of a low-temperature glow quasi-stationary plasma discharge.A theoretical estimation of the parameters of this type of discharge has been carried out. It is shown that the lowtemperature plasma initiated under the flow conditions of a liquid-phase medium in the discharge gap between the electrodes can effectively decompose the hydrogen-containing molecules of organic compounds in a liquid with the formation of gaseous products where the content of hydrogen is more than 90%. In the process simulation, theoretical calculations of the voltage and discharge current were also made which are in good agreement with the experimental data. The reaction unit used in the experiments was of a volume of 50 ml and reaction capacity appeared to be about 1.5 liters of hydrogen per minute when using a mixture of oxygen-containing organic compounds as a raw material. During their decomposition in plasma, solid-phase products are also formed in insignificant amounts: carbon nanoparticles and oxide nanoparticles of discharge electrode materials.

Rational Design of Quasi Zero-Strain NCM Cathode Materials for Minimizing Volume Change Effects in All-Solid-State Batteries

2019 ◽  
Author(s):  
Florian Strauss ◽  
Lea de Biasi ◽  
A-Young Kim ◽  
Jonas Hertle ◽  
Simon Schweidler ◽  
...  
Keyword(s):  
Solid State ◽  
Solid Electrolyte ◽  
Cathode Materials ◽  
Rational Design ◽  
Electrode Materials ◽  
Cycling Performance ◽  
Mechanical Degradation ◽  
Volume Changes ◽  
Solid State Batteries ◽  
All Solid State Batteries

Measures to improve the cycling performance and stability of bulk-type all-solid-state batteries (SSBs) are currently being developed with the goal of substituting conventional Li-ion battery (LIB) technology. As known from liquid electrolyte based LIBs, layered oxide cathode materials undergo volume changes upon (de)lithiation, causing mechanical degradation due to particle fracture, among others. Unlike solid electrolytes, liquid electrolytes are somewhat capable of accommodating morphological changes. In SSBs, the rigidity of the materials used typically leads to adverse contact loss at the interfaces of cathode material and solid electrolyte during cycling. Hence, designing zero- or low-strain electrode materials for application in next-generation SSBs is desirable. In the present work, we report on novel Co-rich NCMs, NCM361 (60% Co) and NCM271 (70% Co), showing minor volume changes up to 4.5 V vs Li<sup>+</sup>/Li, as determined by <i>operando</i> X-ray diffraction and pressure measurements of LIB pouch and pelletized SSB cells, respectively. Both cathode materials exhibit good cycling performance when incorporated into SSB cells using argyrodite Li<sub>6</sub>PS<sub>5</sub>Cl solid electrolyte, albeit their morphology and secondary particle size have not yet been optimized.

Rational Design of Quasi Zero-Strain NCM Cathode Materials for Minimizing Volume Change Effects in All-Solid-State Batteries

2019 ◽  
Author(s):  
Florian Strauss ◽  
Lea de Biasi ◽  
A-Young Kim ◽  
Jonas Hertle ◽  
Simon Schweidler ◽  
...  
Keyword(s):  
Solid State ◽  
Solid Electrolyte ◽  
Cathode Materials ◽  
Rational Design ◽  
Electrode Materials ◽  
Cycling Performance ◽  
Mechanical Degradation ◽  
Volume Changes ◽  
Solid State Batteries ◽  
All Solid State Batteries

Measures to improve the cycling performance and stability of bulk-type all-solid-state batteries (SSBs) are currently being developed with the goal of substituting conventional Li-ion battery (LIB) technology. As known from liquid electrolyte based LIBs, layered oxide cathode materials undergo volume changes upon (de)lithiation, causing mechanical degradation due to particle fracture, among others. Unlike solid electrolytes, liquid electrolytes are somewhat capable of accommodating morphological changes. In SSBs, the rigidity of the materials used typically leads to adverse contact loss at the interfaces of cathode material and solid electrolyte during cycling. Hence, designing zero- or low-strain electrode materials for application in next-generation SSBs is desirable. In the present work, we report on novel Co-rich NCMs, NCM361 (60% Co) and NCM271 (70% Co), showing minor volume changes up to 4.5 V vs Li<sup>+</sup>/Li, as determined by <i>operando</i> X-ray diffraction and pressure measurements of LIB pouch and pelletized SSB cells, respectively. Both cathode materials exhibit good cycling performance when incorporated into SSB cells using argyrodite Li<sub>6</sub>PS<sub>5</sub>Cl solid electrolyte, albeit their morphology and secondary particle size have not yet been optimized.

Phosphoryl- and Phosphonium-Bridged Viologens as Stable Two- and Three-Electron Acceptors for Organic Electrodes

2020 ◽  
Author(s):  
Colin R. Bridges ◽  
Andryj M. Borys ◽  
Vanessa Béland ◽  
Joshua R. Gaffen ◽  
Thomas Baumgartner
Keyword(s):  
Molecular Weight ◽  
Organic Molecules ◽  
Electrode Materials ◽  
High Energy ◽  
Electron Acceptors ◽  
Low Molecular Weight ◽  
Reduction Potentials ◽  
Organic Electrode ◽  
High Reduction ◽  
High Specific Energy

Low molecular weight organic molecules that can accept multiple electrons at high<br>reduction potentials are sought after as electrode materials for high-energy sustainable batteries. To date their synthesis has been difficult, and organic scaffolds for electron donors significantly outnumber electron acceptors. Herein, we report two highly electron deficient phosphaviologen derivatives from a phosphorus-bridged 4,4-bipyridine and characterize their electrochemical properties. Phosphaviologen sulfide (PVS) and P-methyl phosphaviologen (PVM) accept two and three electrons at high reduction potentials, respectively. PVM can reversibly accept 3 electrons between 3-3.6 V vs. Li/Li+ with an equivalent molecular weight of 102 g/(mol e-) (262 mAh/g), making it a promising scaffold for sustainable organic electrode materials having high specific energy densities.

Field Effect Modulation of Electrocatalytic Hydrogen Evolution at Back-Gated Two-Dimensional MoS2 Electrodes

2019 ◽  
Author(s):  
Yan Wang ◽  
Sagar Udyavara ◽  
Matthew Neurock ◽  
C. Daniel Frisbie
Keyword(s):  
Electric Field ◽  
Hydrogen Evolution ◽  
Active Sites ◽  
Density Functional ◽  
Electrode Materials ◽  
Density Functional Theory Calculations ◽  
Electronic Charge ◽  
Back Side ◽  
Gate Electrode ◽  
Conventional Manner

<div> <div> <div> <p> </p><div> <div> <div> <p>Electrocatalytic activity for hydrogen evolution at monolayer MoS2 electrodes can be enhanced by the application of an electric field normal to the electrode plane. The electric field is produced by a gate electrode lying underneath the MoS2 and separated from it by a dielectric. Application of a voltage to the back-side gate electrode while sweeping the MoS2 electrochemical potential in a conventional manner in 0.5 M H2SO4 results in up to a 140-mV reduction in overpotential for hydrogen evolution at current densities of 50 mA/cm2. Tafel analysis indicates that the exchange current density is correspondingly improved by a factor of 4 to 0.1 mA/cm2 as gate voltage is increased. Density functional theory calculations support a mechanism in which the higher hydrogen evolution activity is caused by gate-induced electronic charge on Mo metal centers adjacent the S vacancies (the active sites), leading to enhanced Mo-H bond strengths. Overall, our findings indicate that the back-gated working electrode architecture is a convenient and versatile platform for investigating the connection between tunable electronic charge at active sites and overpotential for electrocatalytic processes on ultrathin electrode materials.</p></div></div></div><br><p></p></div></div></div>

uMBD: A Materials-Ready Dispersion Correction that Uniformly Treats Metallic, Ionic, Covalent, and van der Waals Bonding

2019 ◽  
Author(s):  
Minho Kim ◽  
won june kim ◽  
Tim Gould ◽  
Eok Kyun Lee ◽  
Sébastien Lebègue ◽  
...  
Keyword(s):  
First Principles ◽  
Density Functional ◽  
Electrode Materials ◽  
Full Range ◽  
Van Der Waals ◽  
Dft Method ◽  
Dispersion Correction ◽  
Computational Overhead ◽  
System A ◽  
Battery Design

<p>Materials design increasingly relies on first-principles calculations for screening important candidates and for understanding quantum mechanisms. Density functional theory (DFT) is by far the most popular first-principles approach due to its efficiency and accuracy. However, to accurately predict structures and thermodynamics, DFT must be paired with a van der Waals (vdW) dispersion correction. Therefore, such corrections have been the subject of intense scrutiny in recent years. Despite significant successes in organic molecules, no existing model can adequately cover the full range of common materials, from metals to ionic solids, hampering the applications of DFT for modern problems such as battery design. Here, we introduce a universally optimized vdW-corrected DFT method that demonstrates an unbiased reliability for predicting molecular, layered, ionic, metallic, and hybrid materials without incurring a large computational overhead. We use our method to accurately predict the intercalation potentials of layered electrode materials of a Li-ion battery system – a problem for which the existing state-of-the-art methods fail. Thus, we envisage broad use of our method in the design of chemo-physical processes of new materials.</p>

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