The impact of the actual geometrical structure of a thermoelectric material on its electronic transport properties. The case of doped skutterudite systems (Articolo in rivista)

Type

• Articolo in rivista (Classe)
• Prodotto della ricerca (Classe)

Label

• The impact of the actual geometrical structure of a thermoelectric material on its electronic transport properties. The case of doped skutterudite systems (Articolo in rivista) (literal)

Anno

• 2004-01-01T00:00:00+01:00 (literal)

Http://www.cnr.it/ontology/cnr/pubblicazioni.owl#doi

• 10.1063/1.1802631 (literal)

Alternative label

• Bertini L., Gatti C. (2004)
  The impact of the actual geometrical structure of a thermoelectric material on its electronic transport properties. The case of doped skutterudite systems
  in The Journal of chemical physics; AIP, American institute of physics, Melville, NY (Stati Uniti d'America)
  (literal)

Http://www.cnr.it/ontology/cnr/pubblicazioni.owl#autori

• Bertini L., Gatti C. (literal)

Pagina inizio

• 8983 (literal)

Pagina fine

• 8989 (literal)

Http://www.cnr.it/ontology/cnr/pubblicazioni.owl#numeroVolume

• 121 (literal)

Rivista

• ?The ?Journal of chemical physics (Rivista)

Http://www.cnr.it/ontology/cnr/pubblicazioni.owl#pagineTotali

• 7 (literal)

Note

• ISI Web of Science (WOS) (literal)

Http://www.cnr.it/ontology/cnr/pubblicazioni.owl#affiliazioni

• Luca Bertini and Carlo Gatti Istituto di Scienze e Tecnologie Molecolari (ISTM), Via Camillo Golgi 19, 20133 Milan, Italy (literal)

Titolo

• The impact of the actual geometrical structure of a thermoelectric material on its electronic transport properties. The case of doped skutterudite systems (literal)

Abstract

• By doping CoSb3 with Sn, Ba, and La, several structural outcomes are possible. The effect these different structures have on the electronic transport properties of the resulting materials is evaluated by means of an ab initio electronic structure approach and by using the semiclassical Boltzmann theory to derive the electronic transport properties from the band structure. It is shown that the calculated Seebeck coefficient is a very useful indicator of both the actual content of the dopant element and of where it mainly locates into the CoSb3 structure. The use of such an indicator, along with geometrical considerations, demonstrates that the Sn atom occupies both the interstitial and the pnicogen ring positions with relative occupancies and ensuing thermoelectric properties, which heavily depend on the synthesis' conditions. The same indicator also suggests that the La atom, which occupies only interstitial positions, has a far lower maximal solubility in CoSb3 than that claimed experimentally. © 2004 American Institute of Physics. @DOI: 10.1063/1.1802631# (literal)

Editore

• AIP, American institute of physics (Editore)

Prodotto di

• Nanoingegneria chimica sperimentale e teorica: analisi di distribuzioni di densita' elettronica con metodi computazionali innovativi e tecniche di diffrazione di raggi X ad alta risoluzione. (PM.P07.002.001) (Modulo)
• Istituto di scienze e tecnologie molecolari (ISTM) (Istituto)

Autore CNR

• CARLO EDOARDO GATTI (Persona)

Insieme di parole chiave

• Parole chiave di "The impact of the actual geometrical structure of a thermoelectric material on its electronic transport properties. The case of doped skutterudite systems" (Insieme di parole chiave)

Incoming links:

Prodotto

• Istituto di scienze e tecnologie molecolari (ISTM) (Istituto)
• Nanoingegneria chimica sperimentale e teorica: analisi di distribuzioni di densita' elettronica con metodi computazionali innovativi e tecniche di diffrazione di raggi X ad alta risoluzione. (PM.P07.002.001) (Modulo)

Autore CNR di

• CARLO EDOARDO GATTI (Persona)

Http://www.cnr.it/ontology/cnr/pubblicazioni.owl#rivistaDi

• ?The ?Journal of chemical physics (Rivista)

Editore di

• AIP, American institute of physics (Editore)

Insieme di parole chiave di

• Parole chiave di "The impact of the actual geometrical structure of a thermoelectric material on its electronic transport properties. The case of doped skutterudite systems" (Insieme di parole chiave)