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Manganese(II) Molecular Sources for Plasma-Assisted CVD of Mn Oxides and Fluorides: From Precursors to Growth Process
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posted on 2018-01-16, 15:15 authored by gloria tabacchigloria tabacchi, Davide Barreca† , Giorgio Carraro‡ , Ettore Fois§, Alberto Gasparotto‡, Filippo Gri‡, Roberta Seraglia†, Martin Wilken∥, Alfonso Venzo†, Anjana Devi∥ , Gloria Tabacchi*§ , and Chiara Maccato*‡Movies of the two Manganese Complexes Mn(hfa)2•TMEDA and Mn(hfa)2•TMEDA reported in this paper and of their molecular ions obtained by Car-Parrinello first principles molecular dynamics (FPMD) simulations.
Movie 1: FPMD simulation of Mn(hfa)2•TMEDA (sextet) at 25°C.
· Movie 2: FPMD simulation of Mn(tfa)2•TMEDA (sextet) at 25°C.
· Movie 3: FPMD simulation of [Mn(hfa)2•TMEDA]+·(quintet) at 180°C.
· Movie 4: FPMD simulation of [Mn(tfa)2•TMEDA]+·(quintet) at 180°C.
· Movie 5: FPMD simulation of [Mn(hfa)2•TMEDA]+·(triplet) at 180°C.
· Movie 6: FPMD simulation of [Mn(tfa)2•TMEDA]+· (triplet) at 180°C.
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Funding
Financial support from Padova University ex-60% 2015–2017, P-DiSC #SENSATIONAL BIRD2016-UNIPD projects, and ACTION postdoc fellowship, as well as from Insubria University FAR 2015-2016, is gratefully acknowledged.
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- Computational chemistry
- Inorganic materials (incl. nanomaterials)
- Macromolecular materials
- Structure and dynamics of materials
- Other chemical sciences not elsewhere classified
- Inorganic chemistry not elsewhere classified
- Nanochemistry
- Supramolecular chemistry
- Organometallic chemistry
- Physical chemistry not elsewhere classified
- Physical properties of materials
- Physical organic chemistry
- Transition metal chemistry
- Theory and design of materials
- Theoretical and computational chemistry not elsewhere classified
- Macromolecular and materials chemistry not elsewhere classified
- Nanoelectronics
- Nanofabrication, growth and self assembly
- Nanomanufacturing
- Nanomaterials
- Nanoscale characterisation
- Nanotechnology not elsewhere classified
Keywords
chemical vapor deposition growthPlasma-Assisted CVDmanganese oxidesmanganese fluoridesmodeling and simulationsfunctional nanomaterialscomputational modelsdensity functional theory calculationsXPSFT-IRmass spectrometryEI-MSComputational ChemistryChemical Characterisation of MaterialsChemical Sciences not elsewhere classifiedInorganic Chemistry not elsewhere classifiedNanochemistry and Supramolecular ChemistryOrganometallic ChemistryPhysical Chemistry not elsewhere classifiedPhysical Chemistry of MaterialsPhysical Organic ChemistryTransition Metal ChemistryTheory and Design of MaterialsTheoretical and Computational Chemistry not elsewhere classifiedSynthesis of MaterialsNanoelectronicsNanofabrication, Growth and Self AssemblyNanomanufacturingNanomaterialsNanoscale CharacterisationNanotechnology not elsewhere classified
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