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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

Professor of Physics

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

Roadmap on Photovoltaic Absorber Materials for Sustainable Energy Conversion

(2023)

Authors:

James C Blakesley, Ruy S Bonilla, Marina Freitag, Alex M Ganose, Nicola Gasparini, Pascal Kaienburg, George Koutsourakis, Jonathan D Major, Jenny Nelson, Nakita K Noel, Bart Roose, Jae Sung Yun, Simon Aliwell, Pietro P Altermatt, Tayebeh Ameri, Virgil Andrei, Ardalan Armin, Diego Bagnis, Jenny Baker, Hamish Beath, Mathieu Bellanger, Philippe Berrouard, Jochen Blumberger, Stuart A Boden, Hugo Bronstein, Matthew J Carnie, Chris Case, Fernando A Castro, Yi-Ming Chang, Elmer Chao, Tracey M Clarke, Graeme Cooke, Pablo Docampo, Ken Durose, James R Durrant, Marina R Filip, Richard H Friend, Jarvist M Frost, Elizabeth A Gibson, Alexander J Gillett, Pooja Goddard, Severin N Habisreutinger, Martin Heeney, Arthur D Hendsbee, Louise C Hirst, M Saiful Islam, KDG Imalka Jayawardena, Michael B Johnston, Matthias Kauer, Jeff Kettle, Ji-Seon Kim, Dan Lamb, David Lidzey, Jihoo Lim, Roderick MacKenzie, Nigel Mason, Iain McCulloch, Keith P McKenna, Sebastian B Meier, Paul Meredith, Graham Morse, John D Murphy, Chris Nicklin, Paloma Ortega-Arriaga, Thomas Osterberg, Jay B Patel, Anthony Peaker, Moritz Riede, Martyn Rush, James W Ryan, David O Scanlon, Peter J Skabara, Franky So, Henry J Snaith, Ludmilla Steier, Jarla Thiesbrummel, Alessandro Troisi, Craig Underwood, Karsten Walzer, Trystan Watson, J Michael Walls, Aron Walsh, Lucy D Whalley, Benedict Winchester, Samuel D Stranks, Robert LZ Hoye
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Optical absorption spectra of metal oxides from time-dependent density functional theory and many-body perturbation theory based on optimally-tuned hybrid functionals

(2023)

Authors:

Guy Ohad, Stephen E Gant, Dahvyd Wing, Jonah B Haber, María Camarasa-Gómez, Francisca Sagredo, Marina R Filip, Jeffrey B Neaton, Leeor Kronik
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Chemical mapping of excitons in halide double perovskites

Nano Letters American Chemical Society 23:17 (2023) 8155-8161

Authors:

Raisa-Ioana Biega, Yinan Chen, Marina R Filip, Linn Leppert

Abstract:

Halide double perovskites comprise an emerging class of semiconductors with tremendous chemical and electronic diversity. While their band structure features can be understood from frontier-orbital models, chemical intuition for optical excitations remains incomplete. Here, we use ab initio many-body perturbation theory within the GW and the Bethe–Salpeter equation approach to calculate excited-state properties of a representative range of Cs2BB′Cl6 double perovskites. Our calculations reveal that double perovskites with different combinations of B and B′ cations display a broad variety of electronic band structures and dielectric properties and form excitons with binding energies ranging over several orders of magnitude. We correlate these properties with the orbital-induced anisotropy of charge-carrier effective masses and the long-range behavior of the dielectric function by comparing them with the canonical conditions of the Wannier–Mott model. Furthermore, we derive chemically intuitive rules for predicting the nature of excitons in halide double perovskites using computationally inexpensive density functional theory calculations.
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Correction to “Zwitterions in 3D Perovskites: Organosulfide-Halide Perovskites”

Journal of the American Chemical Society American Chemical Society (ACS) 145:25 (2023) 14164-14164

Authors:

Jiayi Li, Zhihengyu Chen, Santanu Saha, James K Utterback, Michael L Aubrey, Rongfeng Yuan, Hannah L Weaver, Naomi S Ginsberg, Karena W Chapman, Marina R Filip, Hemamala I Karunadasa
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Chemical Mapping of Excitons in Halide Double Perovskites

(2023)

Authors:

Raisa-Ioana Biega, Yinan Chen, Marina R Filip, Linn Leppert
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