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Calculated exciton wave function in a hybrid organic-inorganic layered halide perovskite
Credit: Figure created with VESTA; calculations performed with the BerkeleyGW code

Marina Filip

Associate Professor

Research theme

  • Photovoltaics and nanoscience

Sub department

  • Condensed Matter Physics

Research groups

  • Computational Condensed Matter Physics Group
  • Advanced Device Concepts for Next-Generation Photovoltaics
marina.filip@physics.ox.ac.uk
Clarendon Laboratory, room 109
  • About
  • Publications

Ruddlesden-Popper Defects Act as a Free Surface: Role in Formation and Photophysical Properties of CsPbI<sub>3</sub>.

Advanced materials (Deerfield Beach, Fla.) (2025) e2501788

Authors:

Weilun Li, Qimu Yuan, Yinan Chen, Joshua RS Lilly, Marina R Filip, Laura M Herz, Michael B Johnston, Joanne Etheridge

Abstract:

The perovskite semiconductor, CsPbI3, holds excellent promise for solar cell applications due to its suitable bandgap. However, achieving phase-stable CsPbI3 solar cells with high power conversion efficiency remains a major challenge. Ruddlesden-Popper (RP) defects have been identified in a range of perovskite semiconductors, including CsPbI3. However, there is limited understanding as to why they form or their impact on stability and photophysical properties. Here, the prevalence of RP defects is increased with increased Cs-excess in vapor-deposited CsPbI3 thin films while  superior structural stability but inferior photophysical properties are observed. Significantly, using electron microscopy, it is found that the atomic positions at the planar defect are comparable to those of a free surface, revealing their role in phase stabilization. Density functional theory (DFT) calculations reveal the RP planes are electronically benign, however, antisites observed at RP turning points are likely to be malign. Therefore it is proposed that increasing RP planes while reducing RP turning points offers a breakthrough for improving both phase stability and photophysical performance. The formation mechanism revealed here can apply more generally to RP structures in other perovskite systems.
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Ultrafast Spontaneous Exciton Dissociation via Phonon Emission in BiVO$_4$

(2025)

Authors:

Stephen E Gant, Antonios M Alvertis, Christopher JN Coveney, Jonah B Haber, Marina R Filip, Jeffrey B Neaton
More details from the publisher

Ruddlesden-Popper defects act as a free surface: role in formation and photophysical properties of CsPbI3

(2025)

Authors:

Weilun Li, Qimu Yuan, Yinan Chen, Joshua RS Lilly, Marina R Filip, Laura M Herz, Michael B Johnston, Joanne Etheridge

Theory of ab initio downfolding with arbitrary range electron-phonon coupling

(2025)

Authors:

Norm M Tubman, Christopher JN Coveney, Chih-En Hsu, Andres Montoya-Castillo, Marina R Filip, Jeffrey B Neaton, Zhenglu Li, Vojtech Vlcek, Antonios M Alvertis

Phonon-mediated electron attraction in SrTiO$_3$ via the generalized Fröhlich and deformation potential mechanisms

(2025)

Authors:

Norm M Tubman, Christopher JN Coveney, Chih-En Hsu, Andres Montoya-Castillo, Marina R Filip, Jeffrey B Neaton, Zhenglu Li, Vojtech Vlcek, Antonios M Alvertis
More details from the publisher

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