1887
banner image
No data available.
Please log in to see this content.
You have no subscription access to this content.
No metrics data to plot.
The attempt to load metrics for this article has failed.
The attempt to plot a graph for these metrics has failed.
Excitation energies and ionization potentials at high electric fields for molecules relevant for electrically insulating liquids
Rent:
Rent this article for
USD
10.1063/1.4800118
/content/aip/journal/jap/113/14/10.1063/1.4800118
http://aip.metastore.ingenta.com/content/aip/journal/jap/113/14/10.1063/1.4800118

Figures

Image of FIG. 1.
FIG. 1.

A sketch of different possible ionization processes in the field for an insulating molecule. Each process can happen at different fields and the processes have been placed in the graph with a purpose of a clear presentation. Field ionization is not included since it is a pure statistical process. The scales, both for energy and the electric field, are only indicative. Solid arrows denote an electron impact process and wavy arrows denote light.

Image of FIG. 2.
FIG. 2.

The position of a point charge with respect to the GTB cation in z direction of the electric field.

Image of FIG. 3.
FIG. 3.

The interaction energy between the GTB cation and the point charge in the different positions in z direction of the electric field.

Image of FIG. 4.
FIG. 4.

at and for TAB.

Image of FIG. 5.
FIG. 5.

Structure of molecules in the coordinate system indicated in the left corner. The origin of the coordinate system for each molecule is shown by a circle.

Image of FIG. 6.
FIG. 6.

The ionization potential and the excitation energies (eV) in different directions of the electric field for TAB. The solid line shows the IP and the dots are the excitation energies.

Image of FIG. 7.
FIG. 7.

The variation of the ionization potential and the excitation energies (eV) in different directions of the electric field for GTB. The solid line shows the IP and the dots are the excitation energies.

Image of FIG. 8.
FIG. 8.

The first excitation at for GTB (L refers to the left chain and R refers to the right chain).

Image of FIG. 9.
FIG. 9.

The molecular orbitals that are involved in the second excitation in y direction for GTB (M refers to the middle chain).

Image of FIG. 10.
FIG. 10.

The ionization potential and the excitation energies (eV) in different directions of the electric field for DMA. The solid line shows the IP and the dots are the excitation energies.

Image of FIG. 11.
FIG. 11.

LUMO at and for DMA.

Image of FIG. 12.
FIG. 12.

The variation of the ionization potential and excitation energies (eV) in different directions of the electric field for TDAE. The solid line shows the IP and the dots are the excitation energies.

Image of FIG. 13.
FIG. 13.

The variation of the ionization potential and excitation energies (eV) in different directions of the electric field for TCE. The solid line shows the IP and the dots are the excitation energies.

Image of FIG. 14.
FIG. 14.

The variation of the ionization potential and the excitation energies (eV) in different directions of the electric field for DMOD. The solid line shows the IP and the dots are the excitation energies.

Image of FIG. 15.
FIG. 15.

The maximum number of excited states in the in-plane and out-of-plane electric field (for GTB and DMOD (a) electric field along the chain, (b) perpendicular to the chain).

Tables

Generic image for table
Table I.

Structural parameters for TDAE based on the labels shown in Figure 5 (bond lengths ( ) and angles ( )).

Loading

Article metrics loading...

/content/aip/journal/jap/113/14/10.1063/1.4800118
2013-04-10
2014-04-23
Loading

Full text loading...

This is a required field
Please enter a valid email address
752b84549af89a08dbdd7fdb8b9568b5 journal.articlezxybnytfddd
Scitation: Excitation energies and ionization potentials at high electric fields for molecules relevant for electrically insulating liquids
http://aip.metastore.ingenta.com/content/aip/journal/jap/113/14/10.1063/1.4800118
10.1063/1.4800118
SEARCH_EXPAND_ITEM