News

Atomic structure of metal-halide perovskites from first principles: The chicken-and-egg paradox of the organic-inorganic interaction

Jingrui's paper about the atomic structure of hybrid perovskites for photovoltaic applications just appeared as Physical Review B 94, 045201 (2016)

Our paper "Atomic structure of metal-halide perovskites from first principles: The chicken-and-egg paradox of the organic-inorganic interaction" is now available in Physical Review B (http://journals.aps.org/prb/abstract/10.1103/PhysRevB.94.045201). We use density-functional theory to study the atomic structure of several hybrid perovskite materials. We identify two stable structures and analyse them in terms of organic-inorganic and van der Waals interactions. The stable structures result from a delicate interplay between the position of the organic cation and the deformation of the inorganic framework like in the chicken-and-egg paradox.

  • Published:
  • Updated:
Share
URL copied!

Related news

Graphic showing 2 phases of the perovskite material CsPbI3
Research & Art Published:

Theoretical study elucidates deep surface structure of emerging perovskite material

Newly published work by doctoral candidate Azimatu Seidu (CEST group) reveals detailed electronic and atomistic structure of cesium lead triiodide (CsPbI3), an emerging perovskite material
Kaksi poikaa leikkimässä ilta-auringossa kaupungin viheralueella, jonka keskellä on pieni lampi ja sen ympärillä kiviasetelma.
Cooperation, Research & Art Published:

The potential of urban green spaces in climate change mitigation

Aalto University is involved in the CO-CARBON research project, which seeks ways to integrate the carbon sequestration of green spaces in urban planning and decision-making.
Researchers. Photo: Unto Rautio
Research & Art Published:
A merged image showing a graphic by Lauri Himanen with a photo
Research & Art Published:

Computational physics graduate Lauri Himanen selected for SCI Dissertation Award

Lauri Himanen (CEST & SIN groups) was one of two awardees at the Department of Applied Physics for a SCI Dissertation Award