About: Thermoelectric Properties, Effective Mass, Chemical Bonding, and Optical Properties of 1,3,6-trimetylo-alloxazine: C13H12N4O2     Goto   Sponge   Distinct   Permalink

An Entity of Type : http://linked.opendata.cz/ontology/domain/vavai/Vysledek, within Data Space : linked.opendata.cz associated with source document(s)

AttributesValues
rdf:type
Description
  • The thermoelectric properties, electronic band structure, density of states, chemical bonding, optical properties, electrons and holes effective mass of 1,3,6-trimetylo-alloxazine are calculated by using the full potential linear augmented plane wave method, based on the density function theory. Result shows that 1,3,6-trimetylo-alloxazine is an indirect band gap semiconductor. The band gap for LDA, GGA, EVGGA and mBJ are 1.919, 1.984, 2.106, 2.335 eV respectively, the valence bands are mostly attributed to N-s/p, H-s, O-p and C-s electronic states, and the conduction bands are attributed to N-s/p and O-p electronic states. The electrical transport properties and types of carriers of 1,3,6-trimetylo-alloxazine are attributed to N-p and O-p electronic states near the Fermi level. From the electronic charge density nature, the covalency can be clearly seen in the bonds C–N and C–H. From the optical behavior we found that the reflectivity of the investigated compound is smaller. Thermoelectric properties of semi conducting 1,3,6-trimetylo-alloxazine were also reported. 1,3,6-trimetylo-alloxazine compound is approximately large band gap semiconductor with a large p-type Seebeck coefficient. The thermoelectric figure of merit is small because of high electrical resistivity and thermal conductivity.
  • The thermoelectric properties, electronic band structure, density of states, chemical bonding, optical properties, electrons and holes effective mass of 1,3,6-trimetylo-alloxazine are calculated by using the full potential linear augmented plane wave method, based on the density function theory. Result shows that 1,3,6-trimetylo-alloxazine is an indirect band gap semiconductor. The band gap for LDA, GGA, EVGGA and mBJ are 1.919, 1.984, 2.106, 2.335 eV respectively, the valence bands are mostly attributed to N-s/p, H-s, O-p and C-s electronic states, and the conduction bands are attributed to N-s/p and O-p electronic states. The electrical transport properties and types of carriers of 1,3,6-trimetylo-alloxazine are attributed to N-p and O-p electronic states near the Fermi level. From the electronic charge density nature, the covalency can be clearly seen in the bonds C–N and C–H. From the optical behavior we found that the reflectivity of the investigated compound is smaller. Thermoelectric properties of semi conducting 1,3,6-trimetylo-alloxazine were also reported. 1,3,6-trimetylo-alloxazine compound is approximately large band gap semiconductor with a large p-type Seebeck coefficient. The thermoelectric figure of merit is small because of high electrical resistivity and thermal conductivity. (en)
Title
  • Thermoelectric Properties, Effective Mass, Chemical Bonding, and Optical Properties of 1,3,6-trimetylo-alloxazine: C13H12N4O2
  • Thermoelectric Properties, Effective Mass, Chemical Bonding, and Optical Properties of 1,3,6-trimetylo-alloxazine: C13H12N4O2 (en)
skos:prefLabel
  • Thermoelectric Properties, Effective Mass, Chemical Bonding, and Optical Properties of 1,3,6-trimetylo-alloxazine: C13H12N4O2
  • Thermoelectric Properties, Effective Mass, Chemical Bonding, and Optical Properties of 1,3,6-trimetylo-alloxazine: C13H12N4O2 (en)
skos:notation
  • RIV/68407700:21220/14:00216408!RIV15-MSM-21220___
http://linked.open...avai/riv/aktivita
http://linked.open...avai/riv/aktivity
  • I, P(ED2.1.00/01.0024), S
http://linked.open...iv/cisloPeriodika
  • 9
http://linked.open...vai/riv/dodaniDat
http://linked.open...aciTvurceVysledku
http://linked.open.../riv/druhVysledku
http://linked.open...iv/duvernostUdaju
http://linked.open...titaPredkladatele
http://linked.open...dnocenehoVysledku
  • 50403
http://linked.open...ai/riv/idVysledku
  • RIV/68407700:21220/14:00216408
http://linked.open...riv/jazykVysledku
http://linked.open.../riv/klicovaSlova
  • Organic compound; semiconductor; optical properties; thermoelectric (en)
http://linked.open.../riv/klicoveSlovo
http://linked.open...odStatuVydavatele
  • RS - Srbská republika
http://linked.open...ontrolniKodProRIV
  • [2F95978EC2AA]
http://linked.open...i/riv/nazevZdroje
  • International Journal of Electrochemical Science
http://linked.open...in/vavai/riv/obor
http://linked.open...ichTvurcuVysledku
http://linked.open...cetTvurcuVysledku
http://linked.open...vavai/riv/projekt
http://linked.open...UplatneniVysledku
http://linked.open...v/svazekPeriodika
  • 9
http://linked.open...iv/tvurceVysledku
  • Chyský, Jan
  • Azam, S.
  • AL- JAARY, Ali Reshak
http://linked.open...ain/vavai/riv/wos
  • 000328931100040
issn
  • 1452-3981
number of pages
http://localhost/t...ganizacniJednotka
  • 21220
Faceted Search & Find service v1.16.118 as of Jun 21 2024


Alternative Linked Data Documents: ODE     Content Formats:   [cxml] [csv]     RDF   [text] [turtle] [ld+json] [rdf+json] [rdf+xml]     ODATA   [atom+xml] [odata+json]     Microdata   [microdata+json] [html]    About   
This material is Open Knowledge   W3C Semantic Web Technology [RDF Data] Valid XHTML + RDFa
OpenLink Virtuoso version 07.20.3240 as of Jun 21 2024, on Linux (x86_64-pc-linux-gnu), Single-Server Edition (126 GB total memory, 85 GB memory in use)
Data on this page belongs to its respective rights holders.
Virtuoso Faceted Browser Copyright © 2009-2024 OpenLink Software