Study and design of new photovoltaic materials through ab-initio methods.

Canca López, Pablo (2021). Study and design of new photovoltaic materials through ab-initio methods.. Thesis (Master thesis), E.T.S.I. Telecomunicación (UPM).

Description

Title: Study and design of new photovoltaic materials through ab-initio methods.
Author/s:
  • Canca López, Pablo
Contributor/s:
  • Palacios Clemente, Pablo
  • García Moreno, Gregorio
Item Type: Thesis (Master thesis)
Masters title: Energía Solar Fotovoltaica
Date: July 2021
Subjects:
Freetext Keywords: Solar cells, perosvkite, renewable, DFT, HTM. Células solares, perovskita, renovables, Teoría del Funcional de la Densidad, material transportador de huecos.
Faculty: E.T.S.I. Telecomunicación (UPM)
Department: Física Aplicada a las Ingenierías Aeronáutica y Naval
Creative Commons Licenses: Recognition - No derivative works - Non commercial

Full text

[img]
Preview
PDF - Requires a PDF viewer, such as GSview, Xpdf or Adobe Acrobat Reader
Download (9MB) | Preview

Abstract

Inorganic perovskite solar cells have shown an increasing interest because of their promising features. A vital factor, the Hole Transport Material(HTM), still presents different implementation problems. In this Master’s Thesis, Density Functional Theory is used in order to study CsPb(1-x)SnxI3 perovskites, Organic Hole Transport Material (OHTM) molecules and the interface between them. Four different perovskites are studied (x=0, 0.125,0.875, 1), obtaining their crystal structures, densities of state and band diagrams. An organic molecule’s geometry is analyzed and optimized in order to use it as an OHTM. The OHTM | Perovskite interface and its bonding and electronic properties are studied. Las células solares de perovskitas orgánicas han mostrado un interés creciente en los últimos años debido a sus prometedoras características. Un factor crucial, el Material de Transporte de Huecos (HTM por sus siglas en inglés), continúa mostrando problemas en su implementación. En este Trabajo de Fin de Máster se utiliza la Teoría del Funcional de la Densidad para estudiar perovskitas del tipo CsPb(1-x)SnxI3, moléculas orgánicas como material de transporte de huecos (OHTM) y la interfase entre ellas. Se estudian cuatro perovskitas diferentes (x=0, 0.125, 0.875, 1) y se obtienen sus estructuras cristalinas, densidades de estados y diagramas de bandas. Se analiza la geometría de una molécula orgánica y se optmiza para utilizarla como OHTM. La interfase OHTM | Perovskita y sus propiedades electrónicas y de enlace son estudiadas.

More information

Item ID: 68791
DC Identifier: https://oa.upm.es/68791/
OAI Identifier: oai:oa.upm.es:68791
Deposited by: Pablo Canca López
Deposited on: 11 Oct 2021 08:08
Last Modified: 11 Oct 2021 08:08
  • Logo InvestigaM (UPM)
  • Logo GEOUP4
  • Logo Open Access
  • Open Access
  • Logo Sherpa/Romeo
    Check whether the anglo-saxon journal in which you have published an article allows you to also publish it under open access.
  • Logo Dulcinea
    Check whether the spanish journal in which you have published an article allows you to also publish it under open access.
  • Logo de Recolecta
  • Logo del Observatorio I+D+i UPM
  • Logo de OpenCourseWare UPM