Passivation of Nickel Vacancy Defects in Nickel Oxide Solar Cells by Targeted Atomic Deposition of Boron

Flynn, Cory J.; McCullough, Shannon M.; Li, Lesheng; Donley, Carrie L.; Kanai, Yosuke; Cahoon, James F.

doi:10.1021/acs.jpcc.6b06593

Passivation of Nickel Vacancy Defects in Nickel Oxide Solar Cells by Targeted Atomic Deposition of Boron

Journal Article · Wed Jul 13 00:00:00 EDT 2016 · Journal of Physical Chemistry. C

DOI:https://doi.org/10.1021/acs.jpcc.6b06593· OSTI ID:1387929

Flynn, Cory J. ^[1]; McCullough, Shannon M. ^[1]; Li, Lesheng ^[1]; Donley, Carrie L. ^[1]; Kanai, Yosuke ^[1]; Cahoon, James F. ^[1]

Univ. of North Carolina, Chapel Hill, NC (United States)

Localized trap states, which are deleterious to the performance of many solar-energy materials, often originate from the under-coordinated bonding associated with defects. Recently, the concept of targeted atomic deposition (TAD) was introduced as a process that permits the passivation of trap states using a vapor-phase precursor that selectively reacts with only the surface defect sites. In this work, we demonstrate the passivation of nickel oxide (NiO) with the TAD process using diborane gas for selective, low-temperature deposition of boron (B) under continuous flow in a chemical vapor deposition (CVD) system. NiO is a ubiquitous cathode material used in dye-sensitized solar cells (DSSCs), organic photovoltaic devices, and organo-lead halide perovskite solar cells. The deposition of B at 100 °C is shown to follow first-order kinetics, exhibiting saturation at a B to Ni atomic ratio of ~10%. Electrochemical measurements, combined with first-principles calculations, indicate that B passivates Ni vacancy defects by partially saturating the bonding of the oxygen atoms adjacent to the vacancy. p-Type DSSCs were fabricated using TAD-treated NiO and show a modest improvement in photovoltaic performance metrics. The results highlight the potential ubiquity of TAD passivation with a range of atomic precursors and vapor-phase processes.

View Accepted Manuscript (DOE)

Research Organization:: Energy Frontier Research Centers (EFRC) (United States). Center for Solar Fuels (UNC EFRC)

Sponsoring Organization:: National Science Foundation (NSF); USDOE Office of Science (SC), Basic Energy Sciences (BES) (SC-22)

Grant/Contract Number:: SC0001011

OSTI ID:: 1387929

Journal Information:: Journal of Physical Chemistry. C, Journal Name: Journal of Physical Chemistry. C Journal Issue: 30 Vol. 120; ISSN 1932-7447

Publisher:: American Chemical SocietyCopyright Statement

Country of Publication:: United States

Language:: English

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Passivation of Nickel Vacancy Defects in Nickel Oxide Solar Cells by Targeted Atomic Deposition of Boron

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