An Inter-Laboratory Study of Zn–Sn–Ti–O Thin Films using High-Throughput Experimental Methods

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.

doi:10.1021/acscombsci.8b00158

Title: An Inter-Laboratory Study of Zn–Sn–Ti–O Thin Films using High-Throughput Experimental Methods

Journal Article · Tue Mar 19 00:00:00 EDT 2019 · ACS Combinatorial Science

DOI:https://doi.org/10.1021/acscombsci.8b00158· OSTI ID:1508183

^[1];

^[2]; Barron, Sara C. ^[1]; Trautt, Zachary T. ^[1]; Nguyen, Nam ^[1]; Choudhary, Kamal ^[1]; DeCost, Brian ^[1]; Phillips, Caleb ^[2]; Kusne, A. Gilad ^[1]; Yi, Feng ^[1];

^[3];

^[4]; Perkins, John D. ^[2]; Green, Martin L. ^[1]

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

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.

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Research Organization:: 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 Organization:: 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)

Grant/Contract Number:: AC36-08GO28308

OSTI ID:: 1508183

Alternate ID(s):: OSTI ID: 1503165; OSTI ID: 1508763; OSTI ID: 1512432

Report Number(s):: NREL/JA-5K00-72592

Journal Information:: ACS Combinatorial Science, Journal Name: ACS Combinatorial Science Vol. 21 Journal Issue: 5; ISSN 2156-8952

Publisher:: American Chemical SocietyCopyright Statement

Country of Publication:: United States

Language:: English

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Cited by: 9 works

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References (34)

General approach for quantitative energy dispersive x-ray fluorescence analysis based on fundamental parameters He, Fei.; Van Espen, Pierre J. Analytical Chemistry, Vol. 63, Issue 20 https://doi.org/10.1021/ac00020a009	journal	October 1991
The Open Quantum Materials Database (OQMD): assessing the accuracy of DFT formation energies Kirklin, Scott; Saal, James E.; Meredig, Bryce npj Computational Materials, Vol. 1, Issue 1 https://doi.org/10.1038/npjcompumats.2015.10	journal	December 2015
Combinatorial Materials Sciences: Experimental Strategies for Accelerated Knowledge Discovery Rajan, Krishna Annual Review of Materials Research, Vol. 38, Issue 1 https://doi.org/10.1146/annurev.matsci.38.060407.130217	journal	August 2008
An open experimental database for exploring inorganic materials Zakutayev, Andriy; Wunder, Nick; Schwarting, Marcus Scientific Data, Vol. 5, Issue 1 https://doi.org/10.1038/sdata.2018.53	journal	April 2018
Research Update: Emerging chalcostibite absorbers for thin-film solar cells de Souza Lucas, Francisco Willian; Zakutayev, Andriy APL Materials, Vol. 6, Issue 8 https://doi.org/10.1063/1.5027862	journal	August 2018
Combinatorial approach to thin-film transistors using multicomponent semiconductor channels: An application to amorphous oxide semiconductors in In–Ga–Zn–O system Iwasaki, Tatsuya; Itagaki, Naho; Den, Tohru Applied Physics Letters, Vol. 90, Issue 24 https://doi.org/10.1063/1.2749177	journal	June 2007
Transparent Conductive Zinc Oxide Ellmer, Klaus; Klein, Andreas; Rech, Bernd Springer Series in Materials Science https://doi.org/10.1007/978-3-540-73612-7	book	January 2008
Semiconducting properties of amorphous GaZnSnO thin film based on combinatorial electronic structures Kim, B. K.; Park, J. S.; Kim, D. H. Applied Physics Letters, Vol. 104, Issue 18 https://doi.org/10.1063/1.4875044	journal	May 2014
Non-equilibrium alloying controls optoelectronic properties in Cu ₂ O thin films for photovoltaic absorber applications Zakutayev, A.; Stevanovic, V.; Lany, S. Applied Physics Letters, Vol. 106, Issue 12 https://doi.org/10.1063/1.4914974	journal	March 2015
High-Throughput Measurements of Thermochromic Behavior in V _{1– x} Nb _x O ₂ Combinatorial Thin Film Libraries Barron, S. C.; Gorham, J. M.; Patel, M. P. ACS Combinatorial Science, Vol. 16, Issue 10 https://doi.org/10.1021/co500064p	journal	September 2014
Transparent and conducting Zn-Sn-O thin films prepared by combinatorial approach Ko, J. H.; Kim, I. H.; Kim, D. Applied Surface Science, Vol. 253, Issue 18 https://doi.org/10.1016/j.apsusc.2007.03.036	journal	July 2007
Rapid structural mapping of ternary metallic alloy systems using the combinatorial approach and cluster analysis Long, C. J.; Hattrick-Simpers, J.; Murakami, M. Review of Scientific Instruments, Vol. 78, Issue 7 https://doi.org/10.1063/1.2755487	journal	July 2007
Combinatorial Reactive Sputtering of In ₂ S ₃ as an Alternative Contact Layer for Thin Film Solar Cells Siol, Sebastian; Dhakal, Tara P.; Gudavalli, Ganesh S. ACS Applied Materials & Interfaces, Vol. 8, Issue 22 https://doi.org/10.1021/acsami.6b02213	journal	May 2016
Combinatorial insights into doping control and transport properties of zinc tin nitride Fioretti, Angela N.; Zakutayev, Andriy; Moutinho, Helio Journal of Materials Chemistry C, Vol. 3, Issue 42 https://doi.org/10.1039/C5TC02663F	journal	January 2015
The FAIR Guiding Principles for scientific data management and stewardship Wilkinson, Mark D.; Dumontier, Michel; Aalbersberg, IJsbrand Jan Scientific Data, Vol. 3, Issue 1 https://doi.org/10.1038/sdata.2016.18	journal	March 2016
Combinatorial studies of Zn-Al-O and Zn-Sn-O transparent conducting oxide thin films Perkins, J. D.; del Cueto, J. A.; Alleman, J. L. Thin Solid Films, Vol. 411, Issue 1 https://doi.org/10.1016/S0040-6090(02)00205-5	journal	May 2002
Understanding and control of bipolar self-doping in copper nitride Fioretti, Angela N.; Schwartz, Craig P.; Vinson, John Journal of Applied Physics, Vol. 119, Issue 18 https://doi.org/10.1063/1.4948244	journal	May 2016
AFLOWLIB.ORG: A distributed materials properties repository from high-throughput ab initio calculations Curtarolo, Stefano; Setyawan, Wahyu; Wang, Shidong Computational Materials Science, Vol. 58 https://doi.org/10.1016/j.commatsci.2012.02.002	journal	June 2012
Synthesis and Characterization of (Sn,Zn)O Alloys Bikowski, Andre; Holder, Aaron; Peng, Haowei Chemistry of Materials, Vol. 28, Issue 21 https://doi.org/10.1021/acs.chemmater.6b02968	journal	October 2016
Combinatorial and High-Throughput Materials Science Maier, Wilhelm F.; Stöwe, Klaus; Sieg, Simone Angewandte Chemie International Edition, Vol. 46, Issue 32 https://doi.org/10.1002/anie.200603675	journal	August 2007
Fulfilling the promise of the materials genome initiative with high-throughput experimental methodologies Green, M. L.; Choi, C. L.; Hattrick-Simpers, J. R. Applied Physics Reviews, Vol. 4, Issue 1 https://doi.org/10.1063/1.4977487	journal	March 2017
Combinatorial fabrication and high-throughput characterization of a Ti–Ni–Cu shape memory thin film composition spread Löbel, R.; Thienhaus, S.; Savan, A. Materials Science and Engineering: A, Vol. 481-482 https://doi.org/10.1016/j.msea.2007.02.168	journal	May 2008
Model, prediction, and experimental verification of composition and thickness in continuous spread thin film combinatorial libraries grown by pulsed laser deposition Bassim, N. D.; Schenck, P. K.; Otani, M. Review of Scientific Instruments, Vol. 78, Issue 7 https://doi.org/10.1063/1.2755783	journal	July 2007
Zn–Ni–Co–O wide-band-gap p-type conductive oxides with high work functions Zakutayev, A.; Perkins, J. D.; Parilla, P. A. MRS Communications, Vol. 1, Issue 1 https://doi.org/10.1557/mrc.2011.9	journal	August 2011
Applications of high throughput (combinatorial) methodologies to electronic, magnetic, optical, and energy-related materials Green, Martin L.; Takeuchi, Ichiro; Hattrick-Simpers, Jason R. Journal of Applied Physics, Vol. 113, Issue 23 https://doi.org/10.1063/1.4803530	journal	June 2013
Handling Large and Complex Data in a Photovoltaic Research Institution Using a Custom Laboratory Information Management System White, Robert R.; Munch, Kristin MRS Proceedings, Vol. 1654 https://doi.org/10.1557/opl.2014.31	journal	January 2014
Combinatorial Chemical Bath Deposition of CdS Contacts for Chalcogenide Photovoltaics Mokurala, Krishnaiah; Baranowski, Lauryn L.; de Souza Lucas, Francisco W. ACS Combinatorial Science, Vol. 18, Issue 9 https://doi.org/10.1021/acscombsci.6b00074	journal	August 2016
Informatics Infrastructure for the Materials Genome Initiative Dima, Alden; Bhaskarla, Sunil; Becker, Chandler JOM, Vol. 68, Issue 8 https://doi.org/10.1007/s11837-016-2000-4	journal	July 2016
High-throughput Identification and Characterization of Two-dimensional Materials using Density functional theory Choudhary, Kamal; Kalish, Irina; Beams, Ryan Scientific Reports, Vol. 7, Issue 1 https://doi.org/10.1038/s41598-017-05402-0	journal	July 2017
A review of defects and disorder in multinary tetrahedrally bonded semiconductors Baranowski, Lauryn L.; Zawadzki, Pawel; Lany, Stephan Semiconductor Science and Technology, Vol. 31, Issue 12 https://doi.org/10.1088/0268-1242/31/12/123004	journal	November 2016
Tuning the physical properties of amorphous In–Zn–Sn–O thin films using combinatorial sputtering Ndione, P. F.; Zakutayev, A.; Kumar, M. MRS Communications, Vol. 6, Issue 04 https://doi.org/10.1557/mrc.2016.57	journal	December 2016
Combinatorial search of thermoelastic shape-memory alloys with extremely small hysteresis width Cui, Jun; Chu, Yong S.; Famodu, Olugbenga O. Nature Materials, Vol. 5, Issue 4 https://doi.org/10.1038/nmat1593	journal	March 2006
High-throughput synchrotron X-ray diffraction for combinatorial phase mapping Gregoire, J. M.; Van Campen, D. G.; Miller, C. E. Journal of Synchrotron Radiation, Vol. 21, Issue 6 https://doi.org/10.1107/S1600577514016488	journal	October 2014
A high-throughput thermoelectric power-factor screening tool for rapid construction of thermoelectric property diagrams Otani, M.; Lowhorn, N. D.; Schenck, P. K. Applied Physics Letters, Vol. 91, Issue 13 https://doi.org/10.1063/1.2789289	journal	September 2007