Od modelowania molekularnego po nanotechnologię i czystą energię

Kupka, T.; Stachów, M.; Nieradka, M.; Radula-Janik, K.; Stobiński, L.; Kaminsky, W.

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Tytuł artykułu

Od modelowania molekularnego po nanotechnologię i czystą energię

Autorzy

Kupka T. , Stachów M. , Nieradka M. , Radula-Janik K. , Stobiński L. , Kaminsky W.

Treść / Zawartość

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Warianty tytułu

From molecular modelling to nanotechnology and clean energy

Języki publikacji

PL EN

Abstrakty

W dobie ogromnego rozwoju przemysłu i gospodarki oraz katastroficznego widma wyczerpania się surowców kopalnych jako źródeł energii, istotne jest znalezienie alternatywnych źródeł pozyskiwania oraz magazynowania energii. Nanorurki węglowe, grafeny i fulereny stały się najbardziej obiecującymi materiałami XXI w. Ponadto, przewodzące materiały polimerowe mogą być wykorzystane do konwersji energii słonecznej na energię elektryczną. Modelowanie molekularne pozwala na dokładne przewidywanie właściwości fizyko-chemicznych związków chemicznych i materiałów o potencjalnym zastosowaniu w nowoczesnej energetyce (m.in. karbazoli, nanorurek węglowych, grafenów i fulerenów). W pracy przedstawiono zastosowanie modelowania molekularnego do przewidywania parametrów strukturalnych spektroskopowych.

In the times of worldwide energetic crisis and catastrophic threat of depletion of fossil resources as energy source, it is important to find new alternative energy sources and methods for energy storage. Carbon nanotubes, graphenes and fullerenes have become most promising materials of 21st century. Moreover, conductive polymer materials might be use for conversion of solar energy to electricity. Molecular modelling allows to precisely predict physical and chemical properties of chemical compounds and materials that might be potentially applied in modern power industry (i.a. carbazoles, carbon nanotubes, graphenes and fullerenes). The article presents examples of molecular modelling application for prediction of spectroscopic parameters.

Słowa kluczowe

modelowanie molekularne karbazol nanorurki węglowe fulereny spektroskopowych nanorurek węglowych

molecular modelling carbazoles nanotubes fullerenes of carbon nanotubes fullerenes and carbazoles

Wydawca

Stowarzyszenie Inżynierów i Techników Przemysłu Chemicznego, ZW CHEMPRESS-SITPChem

Czasopismo

Chemik

Rocznik

2014

Tom

Vol. 68, nr 4

Strony

288--295

Opis fizyczny

Bibliogr. 54 poz., rys.

Twórcy

autor

Kupka T.

teobaldk@gmail.com

Wydział Chemii, Uniwersytet Opolski, Opole; Leszek STOBIŃSKI – Instytut Chemii Fizycznej PAN, Warszawa

autor

Stachów M.

Wydział Chemii, Uniwersytet Opolski, Opole; Leszek STOBIŃSKI – Instytut Chemii Fizycznej PAN, Warszawa

autor

Nieradka M.

Wydział Chemii, Uniwersytet Opolski, Opole; Leszek STOBIŃSKI – Instytut Chemii Fizycznej PAN, Warszawa

autor

Radula-Janik K.

Wydział Chemii, Uniwersytet Opolski, Opole; Leszek STOBIŃSKI – Instytut Chemii Fizycznej PAN, Warszawa

autor

Stobiński L.

Instytut Chemii Fizycznej PAN, Warszawa

autor

Kaminsky W.

Institute of Organic Chemistry and Biochemistry, Czech Academy of Sciences, Prague, Czech Republic

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