Ab initio Study of Anchoring Groups for CuGaO2 Delafossite-Based p-Type Dye Sensitized Solar Cells

Ab initio Study of Anchoring Groups for CuGaO2 Delafossite-Based p-Type Dye Sensitized Solar Cells

Here we report the first theoretical characterization of the interface between the CuGaO2 delafossite oxide and the carboxylic (–COOH) and phosphonic acid (–PO3H2) anchoring groups. The promising use of delafossites as effective alternative to nickel oxide in p-type DSSC is still limited by practica...

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Bibliographic Details
Main Authors: Ana B. Muñoz-García, Laura Caputo, Eduardo Schiavo, Carmen Baiano, Pasqualino Maddalena, Michele Pavone
Format: Article
Language:English
Published: Frontiers Media S.A. 2019-03-01
Series:Frontiers in Chemistry
Subjects:
density functional theory
p-type DSSCs
anchoring groups
Cu delafossites
delafossite surface
Online Access:https://www.frontiersin.org/article/10.3389/fchem.2019.00158/full

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