Opening the Pandora's jar of molecule-to-material conversion in chemical vapor deposition: Insights from theory (Articolo in rivista)

Type

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

Label

• Opening the Pandora's jar of molecule-to-material conversion in chemical vapor deposition: Insights from theory (Articolo in rivista) (literal)

Anno

• 2014-01-01T00:00:00+01:00 (literal)

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

• 10.1002/qua.24505 (literal)

Alternative label

• Tabacchi G.; Fois E.; Barreca D.; Gasparotto A. (2014)
  Opening the Pandora's jar of molecule-to-material conversion in chemical vapor deposition: Insights from theory
  in International journal of quantum chemistry
  (literal)

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

• Tabacchi G.; Fois E.; Barreca D.; Gasparotto A. (literal)

Pagina inizio

• 1 (literal)

Pagina fine

• 7 (literal)

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

• Invited Paper, selezionato per l'Inside Cover (International Journal of Quantum Chemistry, 2014, 114, iii). Recensito da MaterialsViews.com (http://www.materialsviews.com/molecule-to-material-by-first-principles/). (literal)

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

• http://onlinelibrary.wiley.com/doi/10.1002/qua.24505/abstract (literal)

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

• 114 (literal)

Rivista

• International journal of quantum chemistry (Rivista)

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

• 8 (literal)

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

• 1 (literal)

Note

• ISI Web of Science (WOS) (literal)
• Scopu (literal)

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

• 1,2 : Department of Science and High Technology, University of Insubria and INSTM, 22100 Como, Italy / 3 : CNR-ISTM and INSTM, Department of Chemistry, Padova University, 35131 Padova, Italy / 4 : Department of Chemistry, Padova University and INSTM, 35131 Padova, Italy (literal)

Titolo

• Opening the Pandora's jar of molecule-to-material conversion in chemical vapor deposition: Insights from theory (literal)

Abstract

• First-principles modeling can be a powerful tool for the understanding and optimization of bottom-up processes for nanomaterials fabrication, such as chemical vapor deposition (CVD), a key technology for the development of advanced systems and devices. Molecule-to-material conversion by CVD involves complex chemical phenomena, which are often obscure and still largely unexplored. A proper modeling would require high level of accuracy, large sized models and should include both temperature effects and statistical sampling of reactive events. By presenting a few selected examples, this perspective surveys such problems and discusses currently available approaches for their solution. Possible strategies for future advances in the field are also highlighted. Molecule-to-material conversion by chemical vapor deposition (CVD) takes place under highly reactive conditions and involves a complex and still-unexplored chemistry. A proper theoretical description would require high accuracy, large models, and temperature effects. This perspective surveys some of the main issues in modeling CVD processes and suggests strategies for future progress in the field. (literal)

Prodotto di

• Modeling computazionale di sistemi complessi costituiti da molecole interagenti con superfici e nanosistemi (PM.P05.007.002) (Modulo)
• Institute of Condensed Matter Chemistry and Energy Technologies (ICMATE) (Istituto)
• Istituto di scienze e tecnologie molecolari (ISTM) (Istituto)

Autore CNR

• DAVIDE BARRECA (Persona)

Insieme di parole chiave

• Keywords of "Opening the Pandora's jar of molecule-to-material conversion in chemical vapor deposition: Insights from theory" (Insieme di parole chiave)

Incoming links:

Prodotto

• Istituto di scienze e tecnologie molecolari (ISTM) (Istituto)
• Institute of Condensed Matter Chemistry and Energy Technologies (ICMATE) (Istituto)
• Modeling computazionale di sistemi complessi costituiti da molecole interagenti con superfici e nanosistemi (PM.P05.007.002) (Modulo)

Autore CNR di

• DAVIDE BARRECA (Persona)

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

• International journal of quantum chemistry (Rivista)

Insieme di parole chiave di

• Keywords of "Opening the Pandora's jar of molecule-to-material conversion in chemical vapor deposition: Insights from theory" (Insieme di parole chiave)