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Competing reactions during metalorganic deposition: Ligand-exchange versus direct reaction with the substrate surface
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10.1116/1.4774031
/content/avs/journal/jvsta/31/2/10.1116/1.4774031
http://aip.metastore.ingenta.com/content/avs/journal/jvsta/31/2/10.1116/1.4774031

Figures

Image of FIG. 1.
FIG. 1.

(Color online) HOMO (top) and LUMO (bottom) for the alkylaluminum precursor Al(CH3)3.

Image of FIG. 2.
FIG. 2.

Energy diagram for the reactions of Al(CH3)3 reactions with a hydroxyl-terminated surface site (left) and with a bare silicon surface (right).

Image of FIG. 3.
FIG. 3.

(Color online) HOMO (top) and LUMO (bottom) for the alkylamide precursor Hf[N(CH3)2]4.

Image of FIG. 4.
FIG. 4.

Energy diagram for the reactions of Hf[N(CH3)2]4 reactions with a hydroxyl-terminated surface site (left) and with a bare silicon surface (right).

Image of FIG. 5.
FIG. 5.

(Color online) HOMO (top) and LUMO (bottom) for the alkoxide precursor Ti[O(C3H7)]4.

Image of FIG. 6.
FIG. 6.

Energy diagram for the reactions of Ti[O(C3H7)]4 reactions with a hydroxyl-terminated surface site (left) and with a bare silicon surface (right).

Image of FIG. 7.
FIG. 7.

(Color online) HOMO (top) and LUMO (bottom) for the cyclopentadienyl precursor Hf[C5H5]2[CH3]2.

Image of FIG. 8.
FIG. 8.

Energy diagram for the reactions of [CH3–C5H4]2Hf[CH3]2 reactions with a hydroxyl-terminated surface site (left) and with a bare silicon surface (right).

Image of FIG. 9.
FIG. 9.

(Color online) HOMO (top) and LUMO (bottom) for the diketonate precursor Cu[acac]2.

Image of FIG. 10.
FIG. 10.

Energy diagram for the reactions of Cu[acac]2 reactions with a hydroxyl-terminated surface site (left) and with a bare silicon surface (right).

Image of FIG. 11.
FIG. 11.

(Color online) HOMO (top) and LUMO (bottom) for the amidinate precursor Ni[Pr-amd]2.

Image of FIG. 12.
FIG. 12.

Energy diagram for the reactions of Ni[Pr-amd]2 reactions with a hydroxyl-terminated surface site (left) and with a bare silicon surface (right). The energy of the transition state marked with an asterisk is only an approximate value. It was not calculated at the same convergence criteria as for the other structures because of multiple rotational motions involved in the transformation.

Tables

Generic image for table
TABLE I.

Kinetic requirement (Ea) and thermodynamic stability of the product (ΔE, with respect to the level of reactants) predicted for “ideal” ligand-exchange, ligand-mediated adsorption, and ligand decomposition processes. Values are given in kJ/mol for all cases.

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/content/avs/journal/jvsta/31/2/10.1116/1.4774031
2013-01-07
2014-04-20
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752b84549af89a08dbdd7fdb8b9568b5 journal.articlezxybnytfddd
Scitation: Competing reactions during metalorganic deposition: Ligand-exchange versus direct reaction with the substrate surface
http://aip.metastore.ingenta.com/content/avs/journal/jvsta/31/2/10.1116/1.4774031
10.1116/1.4774031
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