An Inter-Laboratory Study of Zn–Sn–Ti–O Thin Films using High-Throughput Experimental Methods
Abstract
High-throughput experimental (HTE) techniques are an increasingly important way to accelerate the rate of materials research and development for many technological applications. However, there are very few publications on the reproducibility of the HTE results obtained across different laboratories for the same materials system, and on the associated sample and data exchange standards. Here, we report a comparative study of Zn-Sn-Ti-O thin films materials using high-throughput experimental methods at National Institute of Standards and Technology (NIST) and National Renewable Energy Laboratory (NREL). The thin film sample libraries were synthesized by combinatorial physical vapor deposition (co-sputtering and pulsed laser deposition), and characterized by spatially-resolved techniques for composition, structure, thickness, optical and electrical properties. The results of this study indicate that all these measurement techniques performed at two different laboratories show excellent qualitative agreement. The quantitative similarities and differences vary by measurement type, with 95% confidence interval of 0.1-0.2 eV for the band gap, 24-29 nm for film thickness, and 0.08 to 0.37 orders of magnitude for sheet resistance. Overall, this work serves as a case study for the feasibility of a High-Throughput Experimental Materials Collaboratory (HTE-MC) by demonstrating the exchange of high-throughput sample libraries, workflows and data.
- Authors:
-
- National Institute of Standards and Technology (NIST), Gaithersburg, Maryland 20899-3460, United States
- National Renewable Energy Laboratory (NREL), Golden, Colorado 80401, United States
- SLAC National Accelerator Laboratory, Menlo Park, California 94025, United States
- University of Maryland, College Park, Maryland 20742, United States
- Publication Date:
- Research Org.:
- Energy Frontier Research Centers (EFRC) (United States). Center for Next Generation of Materials by Design: Incorporating Metastability (CNGMD); National Renewable Energy Laboratory (NREL), Golden, CO (United States)
- Sponsoring Org.:
- USDOE National Renewable Energy Laboratory (NREL), Laboratory Directed Research and Development (LDRD) Program; USDOE Office of Energy Efficiency and Renewable Energy (EERE), Sustainability Performance Office (EE-5S)
- OSTI Identifier:
- 1508183
- Alternate Identifier(s):
- OSTI ID: 1503165; OSTI ID: 1508763; OSTI ID: 1512432
- Report Number(s):
- NREL/JA-5K00-72592
Journal ID: ISSN 2156-8952
- Grant/Contract Number:
- AC36-08GO28308
- Resource Type:
- Journal Article: Published Article
- Journal Name:
- ACS Combinatorial Science
- Additional Journal Information:
- Journal Name: ACS Combinatorial Science Journal Volume: 21 Journal Issue: 5; Journal ID: ISSN 2156-8952
- Publisher:
- American Chemical Society
- Country of Publication:
- United States
- Language:
- English
- Subject:
- 14 SOLAR ENERGY; 36 MATERIALS SCIENCE; high-throughput experimental; thin films; materials research
Citation Formats
Hattrick-Simpers, Jason R., Zakutayev, Andriy, Barron, Sara C., Trautt, Zachary T., Nguyen, Nam, Choudhary, Kamal, DeCost, Brian, Phillips, Caleb, Kusne, A. Gilad, Yi, Feng, Mehta, Apurva, Takeuchi, Ichiro, Perkins, John D., and Green, Martin L. An Inter-Laboratory Study of Zn–Sn–Ti–O Thin Films using High-Throughput Experimental Methods. United States: N. p., 2019.
Web. doi:10.1021/acscombsci.8b00158.
Hattrick-Simpers, Jason R., Zakutayev, Andriy, Barron, Sara C., Trautt, Zachary T., Nguyen, Nam, Choudhary, Kamal, DeCost, Brian, Phillips, Caleb, Kusne, A. Gilad, Yi, Feng, Mehta, Apurva, Takeuchi, Ichiro, Perkins, John D., & Green, Martin L. An Inter-Laboratory Study of Zn–Sn–Ti–O Thin Films using High-Throughput Experimental Methods. United States. https://doi.org/10.1021/acscombsci.8b00158
Hattrick-Simpers, Jason R., Zakutayev, Andriy, Barron, Sara C., Trautt, Zachary T., Nguyen, Nam, Choudhary, Kamal, DeCost, Brian, Phillips, Caleb, Kusne, A. Gilad, Yi, Feng, Mehta, Apurva, Takeuchi, Ichiro, Perkins, John D., and Green, Martin L. 2019.
"An Inter-Laboratory Study of Zn–Sn–Ti–O Thin Films using High-Throughput Experimental Methods". United States. https://doi.org/10.1021/acscombsci.8b00158.
@article{osti_1508183,
title = {An Inter-Laboratory Study of Zn–Sn–Ti–O Thin Films using High-Throughput Experimental Methods},
author = {Hattrick-Simpers, Jason R. and Zakutayev, Andriy and Barron, Sara C. and Trautt, Zachary T. and Nguyen, Nam and Choudhary, Kamal and DeCost, Brian and Phillips, Caleb and Kusne, A. Gilad and Yi, Feng and Mehta, Apurva and Takeuchi, Ichiro and Perkins, John D. and Green, Martin L.},
abstractNote = {High-throughput experimental (HTE) techniques are an increasingly important way to accelerate the rate of materials research and development for many technological applications. However, there are very few publications on the reproducibility of the HTE results obtained across different laboratories for the same materials system, and on the associated sample and data exchange standards. Here, we report a comparative study of Zn-Sn-Ti-O thin films materials using high-throughput experimental methods at National Institute of Standards and Technology (NIST) and National Renewable Energy Laboratory (NREL). The thin film sample libraries were synthesized by combinatorial physical vapor deposition (co-sputtering and pulsed laser deposition), and characterized by spatially-resolved techniques for composition, structure, thickness, optical and electrical properties. The results of this study indicate that all these measurement techniques performed at two different laboratories show excellent qualitative agreement. The quantitative similarities and differences vary by measurement type, with 95% confidence interval of 0.1-0.2 eV for the band gap, 24-29 nm for film thickness, and 0.08 to 0.37 orders of magnitude for sheet resistance. Overall, this work serves as a case study for the feasibility of a High-Throughput Experimental Materials Collaboratory (HTE-MC) by demonstrating the exchange of high-throughput sample libraries, workflows and data.},
doi = {10.1021/acscombsci.8b00158},
url = {https://www.osti.gov/biblio/1508183},
journal = {ACS Combinatorial Science},
issn = {2156-8952},
number = 5,
volume = 21,
place = {United States},
year = {Tue Mar 19 00:00:00 EDT 2019},
month = {Tue Mar 19 00:00:00 EDT 2019}
}
Web of Science
Figures / Tables:
Works referenced in this record:
General approach for quantitative energy dispersive x-ray fluorescence analysis based on fundamental parameters
journal, October 1991
- He, Fei.; Van Espen, Pierre J.
- Analytical Chemistry, Vol. 63, Issue 20
The Open Quantum Materials Database (OQMD): assessing the accuracy of DFT formation energies
journal, December 2015
- Kirklin, Scott; Saal, James E.; Meredig, Bryce
- npj Computational Materials, Vol. 1, Issue 1
Combinatorial Materials Sciences: Experimental Strategies for Accelerated Knowledge Discovery
journal, August 2008
- Rajan, Krishna
- Annual Review of Materials Research, Vol. 38, Issue 1
An open experimental database for exploring inorganic materials
journal, April 2018
- Zakutayev, Andriy; Wunder, Nick; Schwarting, Marcus
- Scientific Data, Vol. 5, Issue 1
Research Update: Emerging chalcostibite absorbers for thin-film solar cells
journal, August 2018
- de Souza Lucas, Francisco Willian; Zakutayev, Andriy
- APL Materials, Vol. 6, Issue 8
Combinatorial approach to thin-film transistors using multicomponent semiconductor channels: An application to amorphous oxide semiconductors in In–Ga–Zn–O system
journal, June 2007
- Iwasaki, Tatsuya; Itagaki, Naho; Den, Tohru
- Applied Physics Letters, Vol. 90, Issue 24
Transparent Conductive Zinc Oxide
book, January 2008
- Ellmer, Klaus; Klein, Andreas; Rech, Bernd
- Springer Series in Materials Science
Semiconducting properties of amorphous GaZnSnO thin film based on combinatorial electronic structures
journal, May 2014
- Kim, B. K.; Park, J. S.; Kim, D. H.
- Applied Physics Letters, Vol. 104, Issue 18
Non-equilibrium alloying controls optoelectronic properties in Cu 2 O thin films for photovoltaic absorber applications
journal, March 2015
- Zakutayev, A.; Stevanovic, V.; Lany, S.
- Applied Physics Letters, Vol. 106, Issue 12
High-Throughput Measurements of Thermochromic Behavior in V 1– x Nb x O 2 Combinatorial Thin Film Libraries
journal, September 2014
- Barron, S. C.; Gorham, J. M.; Patel, M. P.
- ACS Combinatorial Science, Vol. 16, Issue 10
Transparent and conducting Zn-Sn-O thin films prepared by combinatorial approach
journal, July 2007
- Ko, J. H.; Kim, I. H.; Kim, D.
- Applied Surface Science, Vol. 253, Issue 18
Rapid structural mapping of ternary metallic alloy systems using the combinatorial approach and cluster analysis
journal, July 2007
- Long, C. J.; Hattrick-Simpers, J.; Murakami, M.
- Review of Scientific Instruments, Vol. 78, Issue 7
Combinatorial Reactive Sputtering of In 2 S 3 as an Alternative Contact Layer for Thin Film Solar Cells
journal, May 2016
- Siol, Sebastian; Dhakal, Tara P.; Gudavalli, Ganesh S.
- ACS Applied Materials & Interfaces, Vol. 8, Issue 22
Combinatorial insights into doping control and transport properties of zinc tin nitride
journal, January 2015
- Fioretti, Angela N.; Zakutayev, Andriy; Moutinho, Helio
- Journal of Materials Chemistry C, Vol. 3, Issue 42
The FAIR Guiding Principles for scientific data management and stewardship
journal, March 2016
- Wilkinson, Mark D.; Dumontier, Michel; Aalbersberg, IJsbrand Jan
- Scientific Data, Vol. 3, Issue 1
Combinatorial studies of Zn-Al-O and Zn-Sn-O transparent conducting oxide thin films
journal, May 2002
- Perkins, J. D.; del Cueto, J. A.; Alleman, J. L.
- Thin Solid Films, Vol. 411, Issue 1
Understanding and control of bipolar self-doping in copper nitride
journal, May 2016
- Fioretti, Angela N.; Schwartz, Craig P.; Vinson, John
- Journal of Applied Physics, Vol. 119, Issue 18
AFLOWLIB.ORG: A distributed materials properties repository from high-throughput ab initio calculations
journal, June 2012
- Curtarolo, Stefano; Setyawan, Wahyu; Wang, Shidong
- Computational Materials Science, Vol. 58
Synthesis and Characterization of (Sn,Zn)O Alloys
journal, October 2016
- Bikowski, Andre; Holder, Aaron; Peng, Haowei
- Chemistry of Materials, Vol. 28, Issue 21
Combinatorial and High-Throughput Materials Science
journal, August 2007
- Maier, Wilhelm F.; Stöwe, Klaus; Sieg, Simone
- Angewandte Chemie International Edition, Vol. 46, Issue 32
Fulfilling the promise of the materials genome initiative with high-throughput experimental methodologies
journal, March 2017
- Green, M. L.; Choi, C. L.; Hattrick-Simpers, J. R.
- Applied Physics Reviews, Vol. 4, Issue 1
Combinatorial fabrication and high-throughput characterization of a Ti–Ni–Cu shape memory thin film composition spread
journal, May 2008
- Löbel, R.; Thienhaus, S.; Savan, A.
- Materials Science and Engineering: A, Vol. 481-482
Model, prediction, and experimental verification of composition and thickness in continuous spread thin film combinatorial libraries grown by pulsed laser deposition
journal, July 2007
- Bassim, N. D.; Schenck, P. K.; Otani, M.
- Review of Scientific Instruments, Vol. 78, Issue 7
Zn–Ni–Co–O wide-band-gap p-type conductive oxides with high work functions
journal, August 2011
- Zakutayev, A.; Perkins, J. D.; Parilla, P. A.
- MRS Communications, Vol. 1, Issue 1
Applications of high throughput (combinatorial) methodologies to electronic, magnetic, optical, and energy-related materials
journal, June 2013
- Green, Martin L.; Takeuchi, Ichiro; Hattrick-Simpers, Jason R.
- Journal of Applied Physics, Vol. 113, Issue 23
Handling Large and Complex Data in a Photovoltaic Research Institution Using a Custom Laboratory Information Management System
journal, January 2014
- White, Robert R.; Munch, Kristin
- MRS Proceedings, Vol. 1654
Combinatorial Chemical Bath Deposition of CdS Contacts for Chalcogenide Photovoltaics
journal, August 2016
- Mokurala, Krishnaiah; Baranowski, Lauryn L.; de Souza Lucas, Francisco W.
- ACS Combinatorial Science, Vol. 18, Issue 9
Informatics Infrastructure for the Materials Genome Initiative
journal, July 2016
- Dima, Alden; Bhaskarla, Sunil; Becker, Chandler
- JOM, Vol. 68, Issue 8
High-throughput Identification and Characterization of Two-dimensional Materials using Density functional theory
journal, July 2017
- Choudhary, Kamal; Kalish, Irina; Beams, Ryan
- Scientific Reports, Vol. 7, Issue 1
A review of defects and disorder in multinary tetrahedrally bonded semiconductors
journal, November 2016
- Baranowski, Lauryn L.; Zawadzki, Pawel; Lany, Stephan
- Semiconductor Science and Technology, Vol. 31, Issue 12
Tuning the physical properties of amorphous In–Zn–Sn–O thin films using combinatorial sputtering
journal, December 2016
- Ndione, P. F.; Zakutayev, A.; Kumar, M.
- MRS Communications, Vol. 6, Issue 04
Combinatorial search of thermoelastic shape-memory alloys with extremely small hysteresis width
journal, March 2006
- Cui, Jun; Chu, Yong S.; Famodu, Olugbenga O.
- Nature Materials, Vol. 5, Issue 4
High-throughput synchrotron X-ray diffraction for combinatorial phase mapping
journal, October 2014
- Gregoire, J. M.; Van Campen, D. G.; Miller, C. E.
- Journal of Synchrotron Radiation, Vol. 21, Issue 6
A high-throughput thermoelectric power-factor screening tool for rapid construction of thermoelectric property diagrams
journal, September 2007
- Otani, M.; Lowhorn, N. D.; Schenck, P. K.
- Applied Physics Letters, Vol. 91, Issue 13