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Title: Material informatics driven design and experimental validation of lead titanate as an aqueous solar photocathode

Authors:
ORCiD logo; ORCiD logo; ; ; ; ; ;
Publication Date:
Research Org.:
Energy Frontier Research Centers (EFRC) (United States). Center for Solar Fuels (UNC EFRC)
Sponsoring Org.:
USDOE Office of Science (SC), Basic Energy Sciences (BES) (SC-22)
OSTI Identifier:
1388858
DOE Contract Number:
SC0001011
Resource Type:
Journal Article
Resource Relation:
Journal Name: Materials Discovery; Journal Volume: 6; Journal Issue: C; Related Information: UNC partners with University of North Carolina (lead); Duke University; University of Florida; Georgia Institute of Technology; University; North Carolina Central University; Research Triangle Institute
Country of Publication:
United States
Language:
English
Subject:
catalysis (homogeneous), catalysis (heterogeneous), solar (photovoltaic), solar (fuels), photosynthesis (natural and artificial), hydrogen and fuel cells, electrodes - solar, charge transport, materials and chemistry by design, synthesis (novel materials), synthesis (self-assembly)

Citation Formats

Moot, Taylor, Isayev, Olexandr, Call, Robert W., McCullough, Shannon M., Zemaitis, Morgan, Lopez, Rene, Cahoon, James F., and Tropsha, Alexander. Material informatics driven design and experimental validation of lead titanate as an aqueous solar photocathode. United States: N. p., 2016. Web. doi:10.1016/j.md.2017.04.001.
Moot, Taylor, Isayev, Olexandr, Call, Robert W., McCullough, Shannon M., Zemaitis, Morgan, Lopez, Rene, Cahoon, James F., & Tropsha, Alexander. Material informatics driven design and experimental validation of lead titanate as an aqueous solar photocathode. United States. doi:10.1016/j.md.2017.04.001.
Moot, Taylor, Isayev, Olexandr, Call, Robert W., McCullough, Shannon M., Zemaitis, Morgan, Lopez, Rene, Cahoon, James F., and Tropsha, Alexander. 2016. "Material informatics driven design and experimental validation of lead titanate as an aqueous solar photocathode". United States. doi:10.1016/j.md.2017.04.001.
@article{osti_1388858,
title = {Material informatics driven design and experimental validation of lead titanate as an aqueous solar photocathode},
author = {Moot, Taylor and Isayev, Olexandr and Call, Robert W. and McCullough, Shannon M. and Zemaitis, Morgan and Lopez, Rene and Cahoon, James F. and Tropsha, Alexander},
abstractNote = {},
doi = {10.1016/j.md.2017.04.001},
journal = {Materials Discovery},
number = C,
volume = 6,
place = {United States},
year = 2016,
month =
}
  • Intrinsic amorphous hydrogenated silicon, a-Si:H, has been characterized as a thin-film (8000 angstrom) a-Si:H material. The intrinsic a-Si:H is deposited onto a 200-angstrom thick, heavily B-doped, layer of a-Si:H on stainless steel. The 200-angstrom p/sup +/-a-Si:H layer ensures a back contact to the valence band to give as large a field across the 8000-angstrom intrinsic layer as possible when the intrinsic layer is contacted on the other side by an electrolyte solution containing a redox couple. The a-Si:H photocathodes give good photovoltages in aqueous and nonaqueous media, up to 855 mV, depending on the E/sub 1///sub 2/ of the redoxmore » couple in contact with the electrode.A plot of photovoltage vs. E/sub 1///sub 2/ shows a slope of only 0.42. A zero photovoltage is extrapolated to obtain for E/sub 1///sub 2/ no more negative than +0.9 V vs. SCE; the photovoltage is constant for E/sub 1///sub 2/ more negative than approx.-0.8 V vs. SCE. The slope of less than 1.0 suggests a deleterious role for states situated between the valence and conduction bands of a-Si:H. The surface of a-Si:H can be derivatized with an N,N'-dialkyl-4,4'-bipyridinium reagent followed by deposition of Pd or Pt to effect H/sub 2/ evolution at an electrode potential up to approx. 700 mV more positive than on a conventional electrode. The durability and photovoltage of a-Si:H photocathodes are superior to those of single-crystal p-Si photocathodes, but the wavelength response, rectangularity of current-voltage curves, and the quantum yield for electron flow offset the advantages of the thin-film photocathode. The sustained energy conversion efficiency for 632.8-nm light to electricity or H/sub 2/ is about the same for a-Si:H and single-crystal p-Si under the same conditions.« less
  • Tetragonal ferroelectric materials are polarized to induce the anisotropy necessary for the piezoelectric effect. This poling of the material is inherently an orientation process. Pole figure texture measurements of poling and cross-poling in a lead zirconate titanate Navy VI material show domain motion. The resulting axisymmetric and three-dimensional textures demonstrate the contribution of 90 degree sign domain motion to piezoelectricity. Cross-poling results in strong orientations with lower applied fields than in the initial poling steps. (c) 2000 Materials Research Society.
  • We have used resonance methods to determine the variation of all the independent piezoelectric, elastic, and dielectric material coefficients, as well as the corresponding electromechanical coupling factors, of soft and hard doped piezoelectric lead zirconate titanate (PZT) ceramics with compositions near the morphotropic phase boundary, as a function of temperature ranging between -165 and 195 degree sign C. The material coefficients were obtained by analyzing the fundamental resonance of the impedance or admittance spectra as a function of frequency for several sample resonance geometries. The piezoelectric coefficients d{sub 33}, -d{sub 31}, and d{sub 15}, as well as the dielectric permittivitymore » coefficients {epsilon}{sub 11}{sup T} and {epsilon}{sub 33}{sup T}, generally increased with temperature for both soft and hard PZT samples. However, the elastic compliance coefficients s{sub 11}{sup E}, -s{sub 12}{sup E}, s{sub 33}{sup E}, and s{sub 55}{sup E} exhibited abnormal variations seen as broad peaks over parts of the tested temperature range. Additionally, thermal hystereses were observed in all the studied material coefficients over the temperature cycle. Finally, it was noted that, overall, the material coefficients of soft PZT varied significantly more than those of hard PZT under changing temperature conditions.« less