Published February 2021 | Version v1
Journal article Metadata-only

All inorganic lead free solar cell material Cs2PdI6. A first-principles study

Creators

  • 1. Hubei Engineering Research Center of Weak Magnetic-field Detection, China Three Gorges University, Yichang, Hubei (China)
  • 2. College of Science and Three Gorges Mathematical Research Center (TGMRC), China Three Gorges University, Yichang, Hubei (China)

Description

Through first-principles calculations, the photovoltaic properties of Cs2PdI6 were investigated and found that (1) Cs2PdI6 has a quasi-direct band gap nature, and strong p-d coupling of lower conduction bands is responsible for light electrons; (2) dominant Pdi and Ii defects would be produced at a deep level in the band gap which acts as charge trapping states. Thus, should be passivated by suitable external doping, if Cs2PdI6 works as a solar cell absorber; (3) The Cs2Pd(I1-xBrx)6 alloy is highly miscible. Tunable band gap depending on composition x has a non-linear bowing behavior occurring a lowest band gap at composition Cs2Pd(I0.7Br0.3)6. (author)

Availability note (English)

Available from DOI: https://doi.org/10.35848/1882-0786/abdbce

Additional details

Identifiers

DOI
10.35848/1882-0786/abdbce;

Publishing Information

Journal Title
Applied Physics Express (Online)
Journal Volume
14
Journal Issue
2
Journal Page Range
p. 021005.1-021005.6
ISSN
1882-0786

INIS

Country of Publication
Japan
Country of Input or Organization
Japan
INIS RN
52110276
Subject category
S75: CONDENSED MATTER PHYSICS, SUPERCONDUCTIVITY AND SUPERFLUIDITY;
Descriptors DEI
CRYSTAL DEFECTS; ELECTRONIC STRUCTURE; LIGHT EMITTING DIODES; OPTOELECTRONIC DEVICES; PEROVSKITES; SEMICONDUCTOR MATERIALS; SPACE GROUPS; VALENCE
Descriptors DEC
CRYSTAL STRUCTURE; ELECTRONIC EQUIPMENT; EQUIPMENT; MATERIALS; MINERALS; OPTICAL EQUIPMENT; SEMICONDUCTOR DEVICES; SEMICONDUCTOR DIODES; SYMMETRY GROUPS; TRANSDUCERS

Optional Information

Notes
42 refs., 5 figs.