Work

Mixed-anion mixed-cation perovskite (FAPbI 3 ) 0.875 (MAPbBr 3 ) 0.125 : an ab initio molecular dynamics study

Year: 2022

Type: article

Abstract: An atomic scale model of (FAPbI 3 ) 0.875 (MAPbBr 3 ) 0.125 perovskite, used in highly efficient solar cells, is developed. Extensive molecular dynamics simulation provides electronic and dynamical properties.

Source: Journal of Materials Chemistry A

DOI: 10.1039/d1ta10860c

Authors: Eduardo Menéndez-Proupin, Shivani Grover, Ana L. Montero-Alejo, Scott D. Midgley, Keith T. Butler, Ricardo Grau-Crespo

Institutions: University of Chile, Universidad de Sevilla, University of Reading, Metropolitan University of Technology, Rutherford Appleton Laboratory

Language: English

Topic: Perovskite Materials and Applications

Subfield: Electrical and Electronic Engineering

Field: Engineering

Domain: Physical Sciences

SDG: Affordable and clean energy

Open Access status: green

Funders: University of Reading, Felix Scholarship, ARCHER Service, Agencia Nacional de Investigación y Desarrollo, Engineering and Physical Sciences Research Council, Comisión Nacional de Investigación Científica y Tecnológica

Awards: LABORATORIO NACIONAL PARA HPC, G2391015727, G2984190673, The Materials and Molecular Modelling Hub, G417250887, G4190769231, G4482823132, G4965861925, Tier 2 Hub in Materials and Molecular Modelling, PROPERTIES OF SOLID SOLUTIONS OF HYBRID PEROVSKITES FOR HIGH PERFORMANCE SOLAR CELLS COMPUTATIONAL SIMULATION AT ATOMIC SCALE, STUDY AND IMPROVEMENT OF HIGH EFFICIENCY PHOTOVOLTAIC MATERIALS WITH ATOMIC-SCALE QUANTUM CALCULATIONS, G8141324720, G90098195

OpenAlex ID: W4220737795

FWCI: 0.477

Cites: 55

Cited by: 15

Related to: 10