ELECTRONIC STATE CALCULATION OF MANGANESE DIOXIDE ELECTRODE WITH ADDITIVE TRANSITION METALS

2006 ◽  
Vol 20 (25n27) ◽  
pp. 4255-4260 ◽  
Author(s):  
BONG-SEO KIM ◽  
SU-DONG PARK ◽  
HEE-WOONG LEE ◽  
DONG-YOON LEE ◽  
WON-SUB CHUNG
Keyword(s):  
Electrical Conductivity ◽  
Transition Metals ◽  
Theoretical Calculation ◽  
Manganese Dioxide ◽  
Cluster Model ◽  
Electronic States ◽  
Deposition Method ◽  
Energy Band Gap ◽  
Anodic Deposition ◽  
Better Than

The electronic states of manganese dioxide substituted with transition metals were theoretically calculated by DV-Xα method, cluster model was Mn 15 O 56 and Mn 14 XO 56 (X = transition metal). The energy band gap of manganese-X oxides is lower than that of manganese dioxide from theoretical calculation. Also it is identified that the electrical conductivity of manganese-tungsten oxide is better than that of manganese dioxide from experiment of anodic deposition method. It is confirmed that the theoretical calculation coincides with experimental results.

Electronic State Calculation of Manganese Dioxide and Manganese-Molybdenum Oxide for Dimensionally Stable Anode

2007 ◽  
Vol 26-28 ◽  
pp. 969-972 ◽  
Author(s):  
B.S. Kim ◽  
Dong Yoon Lee ◽  
Hee Woong Lee ◽  
Won Sub Chung
Keyword(s):  
Manganese Dioxide ◽  
Molecular Orbital ◽  
Electronic Structures ◽  
Cluster Model ◽  
Manganese Atom ◽  
Orbital Method ◽  
Molecular Orbital Method ◽  
Energy Band Gap ◽  
Highest Occupied Molecular Orbital ◽  
Lowest Unoccupied Molecular Orbital

The effect of molybdenum substitution in electronic structures of manganese dioxide has been calculated by the DV-Xα molecular orbital method. The molybdenum atom substituted for manganese atom located in center-sited of (Mn15O56)-52 cluster model. By the molybdenum substitution the energy band gap between the highest occupied molecular orbital (HOMO) of valence band and the lowest unoccupied molecular orbital (LUMO) was decreased, also the interaction of Mn-3d and O-2p was weakened but that of Mo-4d and O-2p was intensified. Both bonds of (Mn15O56)-52 and (Mn14MoO56)-52 was composed of not only ionic but also partially covalent.

Analysis of electro- and thermophysical processes occurring during electrocontact baking of flour products.

2020 ◽  
Vol 29 (11) ◽  
pp. 50-55
Author(s):  
V.I. Maklyukov ◽  
◽  
E.O. Gerasimova ◽  
N. V. Labutina ◽  
E.N. Rogozkin ◽  
...  
Keyword(s):  
Electrical Conductivity ◽  
Theoretical Calculation ◽  
Heat Balance ◽  
Electric Contact ◽  
Wheat Dough ◽  
Baking Process ◽  
Free Moisture ◽  
Contact Heating ◽  
The Heat Balance

The article considers the results of research conducted during electric contact heating of rye-wheat dough pieces. It is established that the electrical conductivity of the crumb dough does not depend on the total humidity of the material, but mainly on the amount of free moisture. Using the current and temperature graphs, you can imagine how free moisture changes during the baking process and the influence of the thermophysical and colloidal process on the change in the value of free moisture. Experimentally determined the amount of heat that is spent on baking 1 kg of bread. The accuracy of the theoretical calculation of this parameter in the heat balance of the baking chamber is confirmed.

The Energy Band Structure of Polyacene with Soliton Excitation

1997 ◽  
Vol 11 (11) ◽  
pp. 477-483 ◽  
Author(s):  
Z. J. Li ◽  
H. B. Xu ◽  
K. L. Yao
Keyword(s):  
Band Structure ◽  
Charge Density ◽  
Energy Band ◽  
Energy Gap ◽  
Electronic States ◽  
Energy Band Structure ◽  
Energy Spectra ◽  
Energy Band Gap ◽  
The One ◽  
Soliton Excitation

Starting from the extensional Su–Schrieffer–Heeger model taking into account the effects of interchain coupling, we have studied the energy spectra and electronic states of soliton excitation in polyacene. The dimerized displacement u0 is found to be similar to the case of trans-polyacetylene, and equals to 0.04 Å. The energy-band gap is 0.38 eV, in agreement with the results derived by other authors. Two new bound electronic states have been found in the conduction band and in the valence band, which is different from the one of trans-polyacetylene. There exists two degenerate soliton states in the center of energy gap. Furthermore, the distribution of charge density and spin density have been discussed in detail.

scholarly journals Optoelectronics applications of electrodeposited p- and n-type Al2Se3 thin films

2021 ◽  
Vol 0 (0) ◽  
Author(s):  
A. A. Faremi ◽  
S. S. Oluyamo ◽  
O. Olubosede ◽  
I. O. Olusola ◽  
M. A. Adekoya ◽  
...  
Keyword(s):  
Thin Films ◽  
Electrical Conductivity ◽  
Band Gap ◽  
Energy Band ◽  
Selenium Dioxide ◽  
Photoelectrochemical Cells ◽  
Energy Band Gap ◽  
Cathodic Deposition ◽  
Conductivity Type ◽  
P Type

Abstract In this paper, energy band gaps and electrical conductivity based on aluminum selenide (Al2Se3) thin films are synthesized electrochemically using cathodic deposition technique, with graphite and carbon as cathode and anode, respectively. Synthesis is done at 353 K from an aqueous solution of analytical grade selenium dioxide (SeO2), and aluminum chloride (AlCl2·7H2O). Junctions-based Al2Se3 thin films from a controlled medium of pH 2.0 are deposited on fluorine-doped tin oxide (FTO) substrate using potential voltages varying from 1,000 mV to 1,400 mV and 3 minutes −15 minutes respectively. The films were characterized for optical properties and electrical conductivity using UV-vis and photoelectrochemical cells (PEC) spectroscopy. The PEC reveals a transition in the conduction of the films from p-type to n-type as the potential voltage varies. The energy band gap reduces from 3.2 eV to 2.9 eV with an increase in voltage and 3.3 eV to 2.7 eV with increase in time. These variations indicate successful fabrication of junction-based Al2Se3 thin films with noticeable transition in the conductivity type and energy band gap of the materials. Consequently, the fabricated Al2Se3 can find useful applications in optoelectronic devices.

Correlation between Curing Temperature and the Properties of Conductive Composites

2013 ◽  
Vol 750-752 ◽  
pp. 119-122 ◽  
Author(s):  
Xiao Ya Wang ◽  
Zhi Dong Xia ◽  
Zhe Li
Keyword(s):  
Mechanical Properties ◽  
Electrical Conductivity ◽  
Crosslink Density ◽  
Fracture Morphology ◽  
Curing Temperature ◽  
Tensile Fracture ◽  
Elongation At Break ◽  
Conductive Composites ◽  
The Stability ◽  
Better Than

This study was carried out to discuss the influence of curing temperature on the performance of conductive composites filled with nickel-coated graphite (NCG). The electrical conductivity, crosslink density, mechanical properties and tensile fracture morphology have been investigated. The results indicated that curing temperature had great impact on the electrical conductivity and mechanical properties. Voluem resistivity decreased from 43.1 to 0.08 ohm-cm at 125°C-205°C, and the reason was discussed in light of formation and break of the conductive network in the composites. The stability of SR-NCG cured at 165°C-205°C were also better than those cured at other curing temperature. Besides, tensile strength increased from 2.41 to 7.19Mpa at 125°C-225°C, elongation at break have a 56% increase, and Shore A hardness also incresed from 74 to 82.

scholarly journals Phonon Density of States and Debye Temperatures of BCC Transition Metals

1985 ◽  
Vol 40 (8) ◽  
pp. 834-842
Author(s):  
A. R. Jani
Keyword(s):  
Transition Metals ◽  
Phonon Frequency ◽  
Theoretical Data ◽  
Phonon Density ◽  
Frequency Spectra ◽  
Fine Mesh ◽  
Debye Temperatures ◽  
Density Of Phonon States ◽  
Theoretical Results ◽  
Better Than

A screened shell phenomenological model is applied to determine the density of phonon states and Debye temperatures of six bcc transition metals. The theoretical results are discussed in the light of existing experimental and other theoretical data. It has been found that the results obtained in the present study are better than those reported previously on the basis of phenomenological models. Moreover, it should be emphasized that in the present work a fine mesh of 64 000 evenly spaced vector has been employed to generate the phonon frequency spectra.

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