Exploiting quantum interference in dye sensitized solar cells

Publikation: Bidrag til tidsskrift › Tidsskriftartikel › Forskning › fagfællebedømt

Standard

Exploiting quantum interference in dye sensitized solar cells. / Maggio, Emanuele; Solomon, Gemma C.; Troisi, Alessandro.

I: A C S Nano, Bind 8, Nr. 1, 2014, s. 409-418.

Publikation: Bidrag til tidsskrift › Tidsskriftartikel › Forskning › fagfællebedømt

Harvard

Maggio, E, Solomon, GC & Troisi, A 2014, 'Exploiting quantum interference in dye sensitized solar cells', A C S Nano, bind 8, nr. 1, s. 409-418. https://doi.org/10.1021/nn4045886

APA

Maggio, E., Solomon, G. C., & Troisi, A. (2014). Exploiting quantum interference in dye sensitized solar cells. A C S Nano, 8(1), 409-418. https://doi.org/10.1021/nn4045886

Vancouver

Maggio E, Solomon GC, Troisi A. Exploiting quantum interference in dye sensitized solar cells. A C S Nano. 2014;8(1):409-418. https://doi.org/10.1021/nn4045886

Author

Maggio, Emanuele ; Solomon, Gemma C. ; Troisi, Alessandro. / Exploiting quantum interference in dye sensitized solar cells. I: A C S Nano. 2014 ; Bind 8, Nr. 1. s. 409-418.

Bibtex

@article{5707b7ce1eea46d69bf3db40ef662fb9,
title = "Exploiting quantum interference in dye sensitized solar cells",
abstract = "A strategy to hinder the charge recombination process in dye sensitized solar cells is developed in analogy with similar approaches to modulate charge transport across nanostructures. The system studied is a TiO2 (anatase)-chromophore interface, with an unsaturated carbon bridge connecting the two subunits. A theory for nonadiabatic electron transfer is employed in order to take explicitly into account the contribution from the bridge states mediating the process. If a cross-conjugated fragment is present in the bridge, it is possible to suppress the charge recombination by negative interference of the possible tunnelling path. Calculations carried out on realistic molecules at the DFT level of theory show how the recombination lifetime can be modulated by changes in the electron-withdrawing (donating) character of the groups connected to the cross-conjugated bridge. Tight binding calculations are employed to support the interpretation of the atomistic simulations.",
author = "Emanuele Maggio and Solomon, {Gemma C.} and Alessandro Troisi",
year = "2014",
doi = "10.1021/nn4045886",
language = "English",
volume = "8",
pages = "409--418",
journal = "A C S Nano",
issn = "1936-0851",
publisher = "American Chemical Society",
number = "1",

}

RIS

TY - JOUR

T1 - Exploiting quantum interference in dye sensitized solar cells

AU - Maggio, Emanuele

AU - Solomon, Gemma C.

AU - Troisi, Alessandro

PY - 2014

Y1 - 2014

N2 - A strategy to hinder the charge recombination process in dye sensitized solar cells is developed in analogy with similar approaches to modulate charge transport across nanostructures. The system studied is a TiO2 (anatase)-chromophore interface, with an unsaturated carbon bridge connecting the two subunits. A theory for nonadiabatic electron transfer is employed in order to take explicitly into account the contribution from the bridge states mediating the process. If a cross-conjugated fragment is present in the bridge, it is possible to suppress the charge recombination by negative interference of the possible tunnelling path. Calculations carried out on realistic molecules at the DFT level of theory show how the recombination lifetime can be modulated by changes in the electron-withdrawing (donating) character of the groups connected to the cross-conjugated bridge. Tight binding calculations are employed to support the interpretation of the atomistic simulations.

AB - A strategy to hinder the charge recombination process in dye sensitized solar cells is developed in analogy with similar approaches to modulate charge transport across nanostructures. The system studied is a TiO2 (anatase)-chromophore interface, with an unsaturated carbon bridge connecting the two subunits. A theory for nonadiabatic electron transfer is employed in order to take explicitly into account the contribution from the bridge states mediating the process. If a cross-conjugated fragment is present in the bridge, it is possible to suppress the charge recombination by negative interference of the possible tunnelling path. Calculations carried out on realistic molecules at the DFT level of theory show how the recombination lifetime can be modulated by changes in the electron-withdrawing (donating) character of the groups connected to the cross-conjugated bridge. Tight binding calculations are employed to support the interpretation of the atomistic simulations.

U2 - 10.1021/nn4045886

DO - 10.1021/nn4045886

M3 - Journal article

C2 - 24283471

VL - 8

SP - 409

EP - 418

JO - A C S Nano

JF - A C S Nano

SN - 1936-0851

IS - 1

ER -

ID: 92065093