Machine Learning-Enabled Correlation and Modeling of Multimodal Response of Thin Film to Environment on Macro and Nanoscale Using “Lab-on-a-Crystal”

Muckley, Eric S.; Collins, Liam; Srijanto, Bernadeta; Ivanov, Ilia N.

doi:10.1002/adfm.201908010

Title: Machine Learning-Enabled Correlation and Modeling of Multimodal Response of Thin Film to Environment on Macro and Nanoscale Using “Lab-on-a-Crystal”

Journal Article · 21 January 2020 · Advanced Functional Materials

DOI: https://doi.org/10.1002/adfm.201908010 · OSTI ID:1608219

^[1];

^[1]

Oak Ridge National Lab. (ORNL), Oak Ridge, TN (United States)

To close the feedback loop between artificial intellegence-controlled materials synthesis and characterization, material functionality must be rapidly tested. A platform for high-throughput multifunctional materials characterization is developed using a quartz crystal microbalance with auxiliary in-plane electrodes and a custom gas/vapor flow cell, enabling simultaneous scanning probe microscopy and electrical, optical, gravimetric, and viscoelastic characterization on the same film under controlled environment. The lab-on-a-crystal in situ multifunctional output allows direct correlations between the gravimetric/viscoelastic, electrical, and optical responses of polymer film in response to environment. Finally, when multiple film properties are used to augment the training set for machine learning regression, prediction of material response to the environment improves by a factor of 13 when <5% of the total dataset is used for model training.

View Accepted Manuscript (DOE)

View Accepted Manuscript (Publisher)

Cite

Export

Save

Research Organization:: Oak Ridge National Laboratory (ORNL), Oak Ridge, TN (United States)

Sponsoring Organization:: USDOE Office of Science (SC), Basic Energy Sciences (BES); USDOE

Grant/Contract Number:: AC05-00OR22725

OSTI ID:: 1608219

Alternate ID(s):: OSTI ID: 1592814

Journal Information:: Advanced Functional Materials, Vol. 30, Issue 10; ISSN 1616-301X

Publisher:: WileyCopyright Statement

Country of Publication:: United States

Language:: English

Citation Metrics:

Cited by: 11 works

Citation information provided by
Web of Science

References (72)

Quartz crystal microbalance setup for frequency and Q ‐factor measurements in gaseous and liquid environments Rodahl, Michael; Höök, Fredrik; Krozer, Anatol Review of Scientific Instruments, Vol. 66, Issue 7 https://doi.org/10.1063/1.1145396	journal	July 1995
Machine learning enabled acoustic detection of sub-nanomolar concentration of trypsin and plasmin in solution Tatarko, Marek; Muckley, Eric S.; Subjakova, Veronika Sensors and Actuators B: Chemical, Vol. 272 https://doi.org/10.1016/j.snb.2018.05.100	journal	November 2018
A Water-Based Silver-Nanowire Screen-Print Ink for the Fabrication of Stretchable Conductors and Wearable Thin-Film Transistors Liang, Jiajie; Tong, Kwing; Pei, Qibing Advanced Materials, Vol. 28, Issue 28 https://doi.org/10.1002/adma.201600772	journal	May 2016
The synthesis of multifunctional porous honey comb-like La 2 O 3 thin film for supercapacitor and gas sensor applications Yadav, A. A.; Lokhande, A. C.; Pujari, R. B. Journal of Colloid and Interface Science, Vol. 484 https://doi.org/10.1016/j.jcis.2016.08.056	journal	December 2016
Measurement of spurious resonances of crystal units using network analysers with error correction Neubig, B. W. Proceedings of IEEE 48th Annual Symposium on Frequency Control https://doi.org/10.1109/FREQ.1994.398326	conference	January 1994
Flexible Transparent Electronic Gas Sensors Wang, Ting; Guo, Yunlong; Wan, Pengbo Small, Vol. 12, Issue 28 https://doi.org/10.1002/smll.201601049	journal	June 2016
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
Stiffness, strength and adhesion characterization of electrochemically deposited conjugated polymer films Qu, Jing; Ouyang, Liangqi; Kuo, Chin-chen Acta Biomaterialia, Vol. 31 https://doi.org/10.1016/j.actbio.2015.11.018	journal	February 2016
Light-Activated Hybrid Nanocomposite Film for Water and Oxygen Sensing Muckley, Eric S.; Collins, Liam; Ievlev, Anton V. ACS Applied Materials & Interfaces, Vol. 10, Issue 37 https://doi.org/10.1021/acsami.8b08072	journal	August 2018
Correlations between Mechanical and Electrical Properties of Polythiophenes O’Connor, Brendan; Chan, Edwin P.; Chan, Calvin ACS Nano, Vol. 4, Issue 12 https://doi.org/10.1021/nn1018768	journal	November 2010
PEDOT:PSS films with significantly enhanced conductivities induced by preferential solvation with cosolvents and their application in polymer photovoltaic cells Xia, Yijie; Ouyang, Jianyong Journal of Materials Chemistry, Vol. 21, Issue 13 https://doi.org/10.1039/c0jm04177g	journal	January 2011
Probing the Viscoelastic Property of Pseudo Free-Standing Conjugated Polymeric Thin Films Zhang, Song; Ocheje, Michael U.; Luo, Shaochuan Macromolecular Rapid Communications, Vol. 39, Issue 14 https://doi.org/10.1002/marc.201800092	journal	May 2018
Preparation of surface initiated polystyrenesulfonate films and PEDOT doped by the films Mulfort, Karen L.; Ryu, Jae; Zhou, Qingye Polymer, Vol. 44, Issue 11 https://doi.org/10.1016/S0032-3861(03)00247-7	journal	May 2003
Morphology and conductivity of PEDOT/PSS films studied by scanning–tunneling microscopy Timpanaro, S.; Kemerink, M.; Touwslager, F. J. Chemical Physics Letters, Vol. 394, Issue 4-6 https://doi.org/10.1016/j.cplett.2004.07.035	journal	August 2004
Design and Operation of a MEMS-Based Material Testing System for Nanomechanical Characterization Espinosa, H. D.; Moldovan, N. Journal of Microelectromechanical Systems, Vol. 16, Issue 5 https://doi.org/10.1109/JMEMS.2007.905739	journal	October 2007
An In Situ Grazing Incidence X-Ray Scattering Study of Block Copolymer Thin Films During Solvent Vapor Annealing Gu, Xiaodan; Gunkel, Ilja; Hexemer, Alexander Advanced Materials, Vol. 26, Issue 2 https://doi.org/10.1002/adma.201302562	journal	November 2013
A Morphological Model for the Solvent-Enhanced Conductivity of PEDOT:PSS Thin Films Nardes, Alexandre Mantovani; Janssen, René A. J.; Kemerink, Martijn Advanced Functional Materials, Vol. 18, Issue 6 https://doi.org/10.1002/adfm.200700796	journal	March 2008
New Insights on Electro-Optical Response of Poly(3,4-ethylenedioxythiophene):Poly(styrenesulfonate) Film to Humidity Muckley, Eric S.; Jacobs, Christopher B.; Vidal, Keith ACS Applied Materials & Interfaces, Vol. 9, Issue 18 https://doi.org/10.1021/acsami.7b03128	journal	April 2017
Frequency of a quartz microbalance in contact with liquid Kanazawa, K. Keiji.; Gordon, Joseph G. Analytical Chemistry, Vol. 57, Issue 8 https://doi.org/10.1021/ac00285a062	journal	July 1985
Calixarene films as sensitive coatings for QCM-based gas sensors Koshets, I. A.; Kazantseva, Z. I.; Shirshov, Yu. M. Sensors and Actuators B: Chemical, Vol. 106, Issue 1 https://doi.org/10.1016/j.snb.2004.05.054	journal	April 2005
Microscopic Understanding of the Anisotropic Conductivity of PEDOT:PSS Thin Films Nardes, A. M.; Kemerink, M.; Janssen, R. A. J. Advanced Materials, Vol. 19, Issue 9 https://doi.org/10.1002/adma.200602575	journal	May 2007
An integrated digital microfluidic lab-on-a-chip for clinical diagnostics on human physiological fluidsThe Science and Application of Droplets in Microfluidic Devices.Electronic supplementary information (ESI) available: five video clips showing: high-speed transport of a droplet of blood across 4 electrodes; sample injection into an on-chip reservoir using an external pipette; droplet formation from an on-chip reservoir using only electrowetting forces; droplets moving in-phase on a 3-phase transport bus; and a pipelined glucose assay, showing sample and reagent droplet formation, mixing, splitting and colorimetric reaction. See http://www.rsc.org/suppdata/lc/b4/b403341h/ Srinivasan, Vijay; Pamula, Vamsee K.; Fair, Richard B. Lab on a Chip, Vol. 4, Issue 4 https://doi.org/10.1039/b403341h	journal	January 2004
Modification of PEDOT:PSS as hole injection layer in polymer LEDs de Kok, M. M.; Buechel, M.; Vulto, S. I. E. physica status solidi (a), Vol. 201, Issue 6 https://doi.org/10.1002/pssa.200404338	journal	May 2004
‘Missing mass’ effect in biosensor's QCM applications Voinova, M. V.; Jonson, M.; Kasemo, B. Biosensors and Bioelectronics, Vol. 17, Issue 10 https://doi.org/10.1016/S0956-5663(02)00050-7	journal	October 2002
Robofurnace: A semi-automated laboratory chemical vapor deposition system for high-throughput nanomaterial synthesis and process discovery Oliver, C. Ryan; Westrick, William; Koehler, Jeremy Review of Scientific Instruments, Vol. 84, Issue 11 https://doi.org/10.1063/1.4826275	journal	November 2013
Automated Electrochemical Synthesis and Photoelectrochemical Characterization of Zn 1 - x Co x O Thin Films for Solar Hydrogen Production Jaramillo, Thomas F.; Baeck, Sung-Hyeon; Kleiman-Shwarsctein, Alan Journal of Combinatorial Chemistry, Vol. 7, Issue 2 https://doi.org/10.1021/cc049864x	journal	March 2005
Toward Totally Flexible Dye-Sensitized Solar Cells Based on Titanium Grids and Polymeric Electrolyte Gerosa, Matteo; Sacco, Adriano; Scalia, Alberto IEEE Journal of Photovoltaics, Vol. 6, Issue 2 https://doi.org/10.1109/JPHOTOV.2016.2514702	journal	March 2016
Perspective: Materials informatics across the product lifecycle: Selection, manufacturing, and certification Mulholland, Gregory J.; Paradiso, Sean P. APL Materials, Vol. 4, Issue 5 https://doi.org/10.1063/1.4945422	journal	April 2016
Morphology-defined interaction of copper phthalocyanine with O ₂ /H ₂ O Muckley, Eric S.; Miller, Nicholas; Jacobs, Christopher B. Journal of Photonics for Energy, Vol. 6, Issue 4 https://doi.org/10.1117/1.JPE.6.045501	journal	October 2016
High-performance flexible energy storage and harvesting system for wearable electronics Ostfeld, Aminy E.; Gaikwad, Abhinav M.; Khan, Yasser Scientific Reports, Vol. 6, Issue 1 https://doi.org/10.1038/srep26122	journal	May 2016
Electrical characterization of PEDOT:PSS beyond humidity saturation Kuş, Mahmut; Okur, Salih Sensors and Actuators B: Chemical, Vol. 143, Issue 1 https://doi.org/10.1016/j.snb.2009.08.055	journal	December 2009
Depinning of Atomically Thin Kr Films on Gold Bruschi, L.; Carlin, A.; Mistura, G. Physical Review Letters, Vol. 88, Issue 4 https://doi.org/10.1103/PhysRevLett.88.046105	journal	January 2002
Rational Design of QCM-D Virtual Sensor Arrays Based on Film Thickness, Viscoelasticity, and Harmonics for Vapor Discrimination Speller, Nicholas C.; Siraj, Noureen; Regmi, Bishnu P. Analytical Chemistry, Vol. 87, Issue 10 https://doi.org/10.1021/ac5046824	journal	May 2015
Role of Polymer Segregation on the Mechanical Behavior of All-Polymer Solar Cell Active Layers Balar, Nrup; Xiong, Yuan; Ye, Long ACS Applied Materials & Interfaces, Vol. 9, Issue 50 https://doi.org/10.1021/acsami.7b13719	journal	December 2017
A textile integrated sensor system for monitoring humidity and temperature Kinkeldei, T.; Zysset, C.; Cherenack, K. H. TRANSDUCERS 2011 - 2011 16th International Solid-State Sensors, Actuators and Microsystems Conference https://doi.org/10.1109/TRANSDUCERS.2011.5969238	conference	June 2011
High-performance flexible dye-sensitized solar cells by using hierarchical anatase TiO 2 nanowire arrays Chai, Zhisheng; Gu, Jiuwang; Khan, Javid RSC Advances, Vol. 5, Issue 107 https://doi.org/10.1039/C5RA17294B	journal	January 2015
Simultaneous Monitoring of Sweat and Interstitial Fluid Using a Single Wearable Biosensor Platform Kim, Jayoung; Sempionatto, Juliane R.; Imani, Somayeh Advanced Science, Vol. 5, Issue 10 https://doi.org/10.1002/advs.201800880	journal	August 2018
Evaluation of MEMS materials of construction for implantable medical devices Kotzar, Geoffrey; Freas, Mark; Abel, Phillip Biomaterials, Vol. 23, Issue 13 https://doi.org/10.1016/S0142-9612(02)00007-8	journal	July 2002
Accelerating the discovery of materials for clean energy in the era of smart automation Tabor, Daniel P.; Roch, Loïc M.; Saikin, Semion K. Nature Reviews Materials, Vol. 3, Issue 5 https://doi.org/10.1038/s41578-018-0005-z	journal	April 2018
Multimodality of Structural, Electrical, and Gravimetric Responses of Intercalated MXenes to Water Muckley, Eric S.; Naguib, Michael; Wang, Hsiu-Wen ACS Nano, Vol. 11, Issue 11 https://doi.org/10.1021/acsnano.7b05264	journal	September 2017
Fast, High Resolution, and Wide Modulus Range Nanomechanical Mapping with Bimodal Tapping Mode Kocun, Marta; Labuda, Aleksander; Meinhold, Waiman ACS Nano, Vol. 11, Issue 10 https://doi.org/10.1021/acsnano.7b04530	journal	October 2017
Ultra-thin conductive free-standing PEDOT/PSS nanofilms Greco, Francesco; Zucca, Alessandra; Taccola, Silvia Soft Matter, Vol. 7, Issue 22 https://doi.org/10.1039/c1sm06174g	journal	January 2011
Combinatorial Materials Science for Polymer Thin-Film Dewetting Meredith, J. Carson; Smith, Archie P.; Karim, Alamgir Macromolecules, Vol. 33, Issue 26 https://doi.org/10.1021/ma001298g	journal	December 2000
The electronic structure and reflectivity of PEDOT:PSS from density functional theory Lenz, Annika; Kariis, Hans; Pohl, Anna Chemical Physics, Vol. 384, Issue 1-3 https://doi.org/10.1016/j.chemphys.2011.05.003	journal	June 2011
Multimodal probing of oxygen and water interaction with metallic and semiconducting carbon nanotube networks under ultraviolet irradiation Muckley, Eric S.; Nelson, Anthony J.; Jacobs, Christopher B. Journal of Photonics for Energy, Vol. 6, Issue 2 https://doi.org/10.1117/1.JPE.6.025506	journal	April 2016
Resolution in quartz crystal oscillator circuits for high sensitivity microbalance sensors in damping media Rodriguez-Pardo, L.; Fariña, J.; Gabrielli, C. Sensors and Actuators B: Chemical, Vol. 103, Issue 1-2 https://doi.org/10.1016/j.snb.2004.04.060	journal	September 2004
Micro Total Analysis Systems. 1. Introduction, Theory, and Technology Reyes, Darwin R.; Iossifidis, Dimitri; Auroux, Pierre-Alain Analytical Chemistry, Vol. 74, Issue 12 https://doi.org/10.1021/ac0202435	journal	June 2002
Mechanical characterization of PEDOT:PSS thin films Lang, Udo; Naujoks, Nicola; Dual, Jurg Synthetic Metals, Vol. 159, Issue 5-6 https://doi.org/10.1016/j.synthmet.2008.11.005	journal	March 2009
Organ-, body- and disease-on-a-chip systems Shuler, Michael L. Lab on a Chip, Vol. 17, Issue 14 https://doi.org/10.1039/C7LC90068F	journal	January 2017
Recent Progress on Printed Flexible Batteries: Mechanical Challenges, Printing Technologies, and Future Prospects Gaikwad, Abhinav M.; Arias, Ana Claudia; Steingart, Daniel A. Energy Technology, Vol. 3, Issue 4 https://doi.org/10.1002/ente.201402182	journal	March 2015
Influence of Ionic Liquids on the Electrical Conductivity and Morphology of PEDOT:PSS Films Döbbelin, Markus; Marcilla, Rebeca; Salsamendi, Maitane Chemistry of Materials, Vol. 19, Issue 9 https://doi.org/10.1021/cm070398z	journal	May 2007
Micro Total Analysis Systems. 2. Analytical Standard Operations and Applications Auroux, Pierre-Alain; Iossifidis, Dimitri; Reyes, Darwin R. Analytical Chemistry, Vol. 74, Issue 12 https://doi.org/10.1021/ac020239t	journal	June 2002
PEDOT:PSS/QCM-based multimodal humidity and pressure sensor Muckley, Eric S.; Lynch, James; Kumar, Rajeev Sensors and Actuators B: Chemical, Vol. 236 https://doi.org/10.1016/j.snb.2016.05.054	journal	November 2016
Electronic Control over Detachment of a Self-Doped Water-Soluble Conjugated Polyelectrolyte Persson, Kristin M.; Gabrielsson, Roger; Sawatdee, Anurak Langmuir, Vol. 30, Issue 21 https://doi.org/10.1021/la500693d	journal	May 2014
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
Autonomy in materials research: a case study in carbon nanotube growth Nikolaev, Pavel; Hooper, Daylond; Webber, Frederick npj Computational Materials, Vol. 2, Issue 1 https://doi.org/10.1038/npjcompumats.2016.31	journal	October 2016
Bioinspired Interfacial Materials with Enhanced Drop Mobility: From Fundamentals to Multifunctional Applications Hao, Chonglei; Liu, Yahua; Chen, Xuemei Small, Vol. 12, Issue 14 https://doi.org/10.1002/smll.201503060	journal	February 2016
Multi-modal, ultrasensitive, wide-range humidity sensing with Ti 3 C 2 film Muckley, Eric S.; Naguib, Michael; Ivanov, Ilia N. Nanoscale, Vol. 10, Issue 46 https://doi.org/10.1039/C8NR05170D	journal	January 2018
From Quartz Crystal Microbalance to Fundamental Principles of Mass Measurements Mecea, Vasile Mihai Analytical Letters, Vol. 38, Issue 5 https://doi.org/10.1081/AL-200056171	journal	March 2005
Viscoelastic Acoustic Response of Layered Polymer Films at Fluid-Solid Interfaces: Continuum Mechanics Approach Voinova, M. V.; Rodahl, M.; Jonson, M. Physica Scripta, Vol. 59, Issue 5 https://doi.org/10.1238/Physica.Regular.059a00391	journal	May 1999
Real-time evaluation of thin film drying kinetics using an advanced, multi-probe optical setup Güldal, Nusret S.; Kassar, Thaer; Berlinghof, Marvin Journal of Materials Chemistry C, Vol. 4, Issue 11 https://doi.org/10.1039/C5TC03448E	journal	January 2016
Highly Sensitive and Multifunctional Tactile Sensor Using Free-standing ZnO/PVDF Thin Film with Graphene Electrodes for Pressure and Temperature Monitoring Lee, James S.; Shin, Keun-Young; Cheong, Oug Jae Scientific Reports, Vol. 5, Issue 1 https://doi.org/10.1038/srep07887	journal	January 2015
Multifunctional Two-Dimensional Reduced Graphene Oxide Thin Film for Gas Sensing and Antibacterial Applications Kumar, Nagesh; Gupta, Bipin Kumar; Srivastava, A. K. Science of Advanced Materials, Vol. 7, Issue 6 https://doi.org/10.1166/sam.2015.2256	journal	June 2015
Determining the Young's Modulus of Polyelectrolyte Multilayer Films via Stress-Induced Mechanical Buckling Instabilities Nolte, Adam J.; Rubner, Michael F.; Cohen, Robert E. Macromolecules, Vol. 38, Issue 13 https://doi.org/10.1021/ma0507950	journal	June 2005
Growth Mechanism of Strain-Dependent Morphological Change in PEDOT:PSS Films Lee, Yoo-Yong; Choi, Gwang Mook; Lim, Seung-Min Scientific Reports, Vol. 6, Issue 1 https://doi.org/10.1038/srep25332	journal	April 2016
Multi-mode humidity sensing with water-soluble copper phthalocyanine for increased sensitivity and dynamic range Muckley, Eric S.; Jacobs, Christopher B.; Vidal, Keith Scientific Reports, Vol. 7, Issue 1 https://doi.org/10.1038/s41598-017-10401-2	journal	August 2017
Nanotribology of a Kr monolayer: A quartz-crystal microbalance study of atomic-scale friction Krim, J.; Solina, D. H.; Chiarello, R. Physical Review Letters, Vol. 66, Issue 2 https://doi.org/10.1103/PhysRevLett.66.181	journal	January 1991
Wearable Electricity Generators Fabricated Utilizing Transparent Electronic Textiles Based on Polyester/Ag Nanowires/Graphene Core–Shell Nanocomposites Wu, Chaoxing; Kim, Tae Whan; Li, Fushan ACS Nano, Vol. 10, Issue 7 https://doi.org/10.1021/acsnano.5b08137	journal	June 2016
Verwendung von Schwingquarzen zur W�gung d�nner Schichten und zur Mikrow�gung Sauerbrey, G�nter Zeitschrift f�r Physik, Vol. 155, Issue 2 https://doi.org/10.1007/BF01337937	journal	April 1959
Lab on a chip Daw, Rosamund; Finkelstein, Joshua Nature, Vol. 442, Issue 7101 https://doi.org/10.1038/442367a	journal	July 2006
Automated Electrochemical Synthesis and Photoelectrochemical Characterization of Zn1-xCoxO Thin Films for Solar Hydrogen Production. Jaramillo, Thomas F.; Baeck, Sung-Hyeon; Kleiman-Shwarsctein, Alan ChemInform, Vol. 36, Issue 23 https://doi.org/10.1002/chin.200523233	journal	June 2005
Bioinspired interfacial materials with enhanced drop mobility: From fundamentals to multifunctional applications Hao, Chonglei; Liu, Yahua; Chen, Xuemei arXiv https://doi.org/10.48550/arxiv.1511.07707	preprint	January 2015

Similar Records

Machine Intelligence-Centered System for Automated Characterization of Functional Materials and Interfaces

Journal Article · 2022 · ACS Applied Materials and Interfaces · OSTI ID:1959579

Muckley, Eric S.; Vasudevan, Rama K.; Sumpter, Bobby G.; +2 more

Acoustical sensing of cardiomyocyte cluster beating

Journal Article · 2013 · Biochemical and Biophysical Research Communications · OSTI ID:22239621

Tymchenko, Nina; Kunze, Angelika; Dahlenborg, Kerstin; +2 more

DETECTING FIRE WITH MACHINE LEARNING-ENABLED VISUAL MONITORING FOR NUCLEAR POWER PLANT ENVIRONMENTS

Conference · 2021 · OSTI ID:2510756

Griffel, Mike; Al Rashdan, Ahmad Y; Boza, Roger

Related Subjects

36 MATERIALS SCIENCE
gravimetric
impedance
machine learning
multifunctional materials
PEDIT:PSS
QCM
viscoelastic

Title: Machine Learning-Enabled Correlation and Modeling of Multimodal Response of Thin Film to Environment on Macro and Nanoscale Using “Lab-on-a-Crystal”

Citation Formats

References (72)

Similar Records

Related Subjects