期刊
ENERGY & ENVIRONMENTAL SCIENCE
卷 13, 期 5, 页码 1481-1491出版社
ROYAL SOC CHEMISTRY
DOI: 10.1039/d0ee00291g
关键词
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资金
- EU Horizon2020 Framework (STARCELL) [720907]
- EPSRC [EP/P020194/1, EP/L000202]
- National Research Foundation of Korea (NRF) - Korean government (MSIT) [2018R1C1B6008728]
- EPSRC [EP/P020194/1] Funding Source: UKRI
- National Research Foundation of Korea [2018R1C1B6008728] Funding Source: Korea Institute of Science & Technology Information (KISTI), National Science & Technology Information Service (NTIS)
The Shockley-Queisser (SQ) limit provides a convenient metric for predicting light-to-electricity conversion efficiency of a solar cell based on the band gap of the light-absorbing layer. In reality, few materials approach this radiative limit. We develop a formalism and computational method to predict the maximum photovoltaic efficiency of imperfect crystals from first principles. The trap-limited conversion efficiency includes equilibrium populations of native defects, their carrier-capture coefficients, and the associated recombination rates. When applied to kesterite solar cells, we reveal an intrinsic limit of 20% for Cu2ZnSnSe4, which falls far below the SQ limit of 32%. The effects of atomic substitution and extrinsic doping are studied, leading to pathways for an enhanced efficiency of 31%. This approach can be applied to support targeted-materials selection for future solar-energy technologies.
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