Temperature dependent energy levels of methylammonium lead iodide perovskite

Journal Article · Mon Jun 15 00:00:00 EDT 2015 · Applied Physics Letters

DOI:https://doi.org/10.1063/1.4922804· OSTI ID:22483077

Foley, Benjamin J.; Marlowe, Daniel L.; Sun, Keye; Saidi, Wissam A. ^[1]; Scudiero, Louis ^[2]

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1. Department of Mechanical Engineering and Materials Science, University of Pittsburgh, Pittsburgh, Pennsylvania 15261 (United States)
2. Chemistry Department and Materials Science and Engineering Program, Washington State University, Pullman, Washington 99164 (United States)

Temperature dependent energy levels of methylammonium lead iodide are investigated using a combination of ultraviolet photoemission spectroscopy and optical spectroscopy. Our results show that the valence band maximum and conduction band minimum shift down in energy by 110 meV and 77 meV as temperature increases from 28 °C to 85 °C. Density functional theory calculations using slab structures show that the decreased orbital splitting due to thermal expansion is a major contribution to the experimentally observed shift in energy levels. Our results have implications for solar cell performance under operating conditions with continued sunlight exposure and increased temperature.

• OSTI ID: 22483077
• Journal Information: Applied Physics Letters, Vol. 106, Issue 24; Other Information: (c) 2015 AIP Publishing LLC; Country of input: International Atomic Energy Agency (IAEA); ISSN 0003-6951
• Country of Publication: United States
• Language: English

Related Subjects

75 CONDENSED MATTER PHYSICS
SUPERCONDUCTIVITY AND SUPERFLUIDITY
71 CLASSICAL AND QUANTUM MECHANICS
GENERAL PHYSICS
DENSITY FUNCTIONAL METHOD
ENERGY LEVELS
LEAD IODIDES
MEV RANGE 100-1000
MEV RANGE 10-100
PERFORMANCE
PEROVSKITE
PHOTOELECTRON SPECTROSCOPY
SOLAR CELLS
TEMPERATURE DEPENDENCE
THERMAL EXPANSION
ULTRAVIOLET RADIATION