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Expert Directory

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complex mixtures, Mass Spectrometry, NMR spectroscopy

Dr. William Kew is a chemist with the Biomolecular Pathways team. He works on high-resolution mass spectrometry (MS) and nuclear magnetic resonance (NMR) spectroscopy analysis of complex mixtures. Kew joined PNNL and EMSL in 2019 as a postdoctoral research associate and transitioned to staff in summer 2020. He graduated in 2018 from the University of Edinburgh with a PhD in chemistry, studying Scotch whisky as a complex mixture by high-resolution MS and NMR techniques.  

Kew’s research includes instrument and method development on the FTICR and Orbitrap mass spectrometry platforms, method development and validation in NMR, data analysis and visualization, and software development. His current projects include the development of the next generation 21 Tesla FTICR mass spectrometer and several other key technology development projects covering complex mixtures, stable isotopes, and imaging mass spectrometry.

Research Interests

  • Mass Spectrometry 

  • NMR Spectroscopy  

  • Complex Mixtures 

  • Metabolomics 

  • Instrument Development 

  • Software Development 

Education

  • PhD in Chemistry, The University of Edinburgh, 2018 

  • MS in Chemistry, University of Saint Andrews, 2014 

Publications

2020 

Kew W.R., and J. Hawkes. 2020. "High resolution mass spectrometry strategies for the investigation of dissolved organic matter." In Multidimensional Analytical Techniques in Environmental Research, edited by Regina Duarte, Armando Duarte. PNNL-SA-146397. 

Hawkes J., J. D'Andrilli, J.N. Agar, M. Barrow, S. Berg, N. Catalan, and H. Chen, et al. 2020. "An international laboratory comparison of dissolved organic matter composition by high resolution mass spectrometry: Are we getting the same answer?" Limnology and Oceanography Methods 18, no. 6:235-258. PNNL-SA-147033.  

2019 

Afonso C., M. Barrow, A.N. Davies, M. Delsuc, T. Ebbels, F.A. Fernandez-Lima, and C. Gauchotte-Lindsay, et al. 2019. "Data mining and visualisation: general discussion." Faraday Discussions 218. PNNL-SA-147037.  

Afonso C., M. Barrow, N.A. Bell, A.N. Davies, D. Duca, C. Focsa, and C. Gauchotte-Lindsay, et al. 2019. "Dealing with complexity: general discussion." Faraday Discussions 218. PNNL-SA-147036. 

Data Analysis, Mass Spectrometry, Software Development

Yuri Corilo is a computational scientist with the Systems Modeling and Computational Science team. He is a mass spectrometrist with more than a decade of experience in all aspects of the field. His research focuses on developing novel methodologies for data processing, annotation, modeling, and software development for complex mixtures analysis applied to metabolomics and natural organic matter molecular characterization.

Corilo has created the following software products:

  • CoremMS: Mass Spectrometry Sofware Framework: 
  • MetaMS: Software for GC-MS based metabolomics analysis: 
  • EnviroMS: Software for FT-MS based organic matter analysis: 

Research Interests

  • Computational approaches to Complex Mixture Analysis
  • Small Molecules Analysis, Metabolomics, and Natural Organic Matter
  • Software Development and Data Analysis for Mass Spectrometry

Education

  • PhD in Science, State University of Campinas, 2011
  • MS in Organic Chemistry, State University of Maringa, 2009
  • BS in Chemistry, State University of Maringa, 2005

Awards and Recognition

Innovator Award, Principal Investigator PetroOrg Software, The Florida State University, 2013

Affiliations and Professional Service

  • American Chemical Society
  • American Society for Mass Spectrometry

Patents

Corilo, Yuri. PetroOrg Software. The Florida State University, FL, USA. Copyright TXu001897498

Publications

2020

Wood-Charlson, E. M., Anubhav, D. Auberry, H. Blanco, M. I. Borkum, Y. E. Corilo, K. W. Davenport, S. Deshpande, R. Devarakonda, M. Drake, W. D. Duncan, M. C. Flynn, D. Hays, B. Hu, M. Huntemann, P. E. Li, M. Lipton, C. C. Lo, D. Millard, K. Miller, P. D. Piehowski, S. Purvine, T. B. K. Reddy, M. Shakya, J. C. Sundaramurthi, P. Vangay, Y. Wei, B. E. Wilson, S. Canon, P. S. G. Chain, K. Fagnan, S. Martin, L. A. McCue, C. J. Mungall, N. J. Mouncey, M. E. Maxon, and E. A. Eloe-Fadrosh. 2020. “The National Microbiome Data Collaborative: Enabling Microbiome Science.” Nature Reviews Microbiology 18 (6): 313-314. . 

 2019

Krajewski, L. C., W. K. Robbins, Y. E. Corilo, G. Bota, A. G. Marshall, and R. P. Rodgers. 2019. “Characterization of Ketones Formed in the Open System Corrosion Test of Naphthenic Acids by Fourier Transform Ion Cyclotron Resonance Mass Spectrometry.” Energy and Fuels 33 (6): 4946-4950. . 

Ajaero, C., K. M. Peru, S. A. Hughes, H. Chen, A. M. McKenna, Y. E. Corilo, D. W. McMartin, and J. V. Headley. 2019. “Atmospheric Pressure Photoionization Fourier Transform Ion Cyclotron Resonance Mass Spectrometry Characterization of Oil Sand Process-Affected Water in Constructed Wetland Treatment.” Energy and Fuels 33 (5): 4420-4431. . 

2018

Jarvis, J. M., J. M. Billing, Y. E. Corilo, A. J. Schmidt, R. T. Hallen, and T. M. Schaub. 2018. “FT-ICR MS Analysis of Blended Pine-Microalgae Feedstock HTL Biocrudes.” Fuel 216: 341-348. . 

2017

Clingenpeel, A. C., S. M. Rowland, Y. E. Corilo, P. Zito, and R. P. Rodgers. 2017. “Fractionation of Interfacial Material Reveals a Continuum of Acidic Species That Contribute to Stable Emulsion Formation.” Energy and Fuels 31 (6): 5933-5939. . 

Avneri-Katz, S., R. B. Young, A. M. McKenna, H. Chen, Y. E. Corilo, T. Polubesova, T. Borch, and B. Chefetz. 2017. “Adsorptive Fractionation of Dissolved Organic Matter (DOM) by Mineral Soil: Macroscale Approach and Molecular Insight.” Organic Geochemistry 103: 113-124. . 

Ajaero, C., D. W. McMartin, K. M. Peru, J. Bailey, M. Haakensen, V. Friesen, R. Martz, S. A. Hughes, C. Brown, H. Chen, A. M. McKenna, Y. E. Corilo, and J. V. Headley. 2017. “Fourier Transform Ion Cyclotron Resonance Mass Spectrometry Characterization of Athabasca Oil Sand Process-Affected Waters Incubated in the Presence of Wetland Plants.” Energy and Fuels 31 (2): 1731-1740. . 

2016

Liu, P., Y. E. Corilo, and A. G. Marshall. 2016. “Polar Lipid Composition of Biodiesel Algae Candidates Nannochloropsis oculata and Haematococcus pluvialis from Nano Liquid Chromatography Coupled with Negative Electrospray Ionization 14.5 T Fourier Transform Ion Cyclotron Resonance Mass Spectrometry.” Energy and Fuels 30 (10): 8270-8276. . 

Farenc, M., Y. E. Corilo, P. M. Lalli, E. Riches, R. P. Rodgers, C. Afonso, and P. Giusti. 2016. “Comparison of Atmospheric Pressure Ionization for the Analysis of Heavy Petroleum Fractions with Ion Mobility-Mass Spectrometry.” Energy and Fuels 30 (11): 8896-8903. .  

Corilo, Y. E., S. M. Rowland, and R. P. Rodgers. 2016. “Calculation of the Total Sulfur Content in Crude Oils by Positive-Ion Atmospheric Pressure Photoionization Fourier Transform Ion Cyclotron Resonance Mass Spectrometry.” Energy and Fuels 30 (5): 3962-3966. . 

Chen, H., A. Hou, Y. E. Corilo, Q. Lin, J. Lu, I. A. Mendelssohn, R. Zhang, R. P. Rodgers, and A. M. McKenna. 2016. “4 Years after the Deepwater Horizon Spill: Molecular Transformation of Macondo Well Oil in Louisiana Salt Marsh Sediments Revealed by FT-ICR Mass Spectrometry.” Environmental Science and Technology 50 (17): 9061-9069. . 

2015

Lalli, P. M., Y. E. Corilo, S. M. Rowland, A. G. Marshall, and R. P. Rodgers. 2015. “Isomeric Separation and Structural Characterization of Acids in Petroleum by Ion Mobility Mass Spectrometry.” Energy and Fuels 29 (6): 3626-3633. . 

Jarvis, J. M., W. K. Robbins, Y. E. Corilo, and R. P. Rodgers. 2015. “Novel Method to Isolate Interfacial Material.” Energy and Fuels 29 (11): 7058-7064. . 

Clingenpeel, A. C., W. K. Robbins, Y. E. Corilo, and R. P. Rodgers. 2015. “Effect of the Water Content on Silica Gel for the Isolation of Interfacial Material from Athabasca Bitumen.” Energy and Fuels 29 (11): 7150-7155. . 

2014

Smith, D. F., A. M. McKenna, Y. E. Corilo, R. P. Rodgers, A. G. Marshall, and R. M. A. Heeren. 2014. “Direct Analysis of Thin-Layer Chromatography Separations of Petroleum Samples by Laser Desorption Ionization Fourier Transform Ion Cyclotron Resonance Mass Spectrometry Imaging.” Energy and Fuels 28 (10): 6284-6288. . 

Rowland, S. M., W. K. Robbins, Y. E. Corilo, A. G. Marshall, and R. P. Rodgers. 2014. “Solid-Phase Extraction Fractionation to Extend the Characterization of Naphthenic Acids in Crude Oil by Electrospray Ionization Fourier Transform Ion Cyclotron Resonance Mass Spectrometry.” Energy and Fuels 28 (8): 5043-5048. . 

Putman, J. C., S. M. Rowland, Y. E. Corilo, and A. M. McKenna. 2014. “Chromatographic Enrichment and Subsequent Separation of Nickel and Vanadyl Porphyrins from Natural Seeps and Molecular Characterization by Positive Electrospray Ionization FT-ICR Mass Spectrometry.” Analytical Chemistry 86 (21): 10708-10715. . 

Jarvis, J. M., D. S. Page-Dumroese, N. M. Anderson, Y. Corilo, and R. P. Rodgers. 2014. “Characterization of Fast Pyrolysis Products Generated from Several Western USA Woody Species.” Energy and Fuels 28 (10): 6438-6446. . 

2013

Podgorski, D. C., Y. E. Corilo, L. Nyadong, V. V. Lobodin, B. J. Bythell, W. K. Robbins, A. M. McKenna, A. G. Marshall, and R. P. Rodgers. 2013. “Heavy Petroleum Composition. 5. Compositional and Structural Continuum of Petroleum Revealed.” Energy and Fuels 27 (3): 1268-1276. . 

Pereira, R. C. L., R. C. Simas, Y. E. Corilo, B. G. Vaz, C. F. Klitzke, E. M. Schmidt, M. A. Pudenzi, R. M. C. F. Silva, E. T. Moraes, W. L. Bastos, M. N. Eberlin, and H. D. L. Nascimento. 2013. “Precision in Petroleomics Via Ultrahigh Resolution Electrospray Ionization Fourier Transform Ion Cyclotron Resonance Mass Spectrometry.” Energy and Fuels 27 (12): 7208-7216. . 

Lalli, P. M., Y. E. Corilo, M. Fasciotti, M. F. Riccio, G. F. De Sa, R. J. Daroda, G. H. M. F. Souza, M. McCullagh, M. D. Bartberger, M. N. Eberlin, and I. D. G. Campuzano. 2013. “Baseline Resolution of Isomers by Traveling Wave Ion Mobility Mass Spectrometry: Investigating the Effects of Polarizable Drift Gases and Ionic Charge Distribution.” Journal of Mass Spectrometry 48 (9): 989-997. . 

Garcia, J. S., B. G. Vaz, Y. E. Corilo, C. F. Ramires, S. A. Saraiva, G. B. Sanvido, E. M. Schmidt, D. R. J. Maia, R. G. Cosso, J. J. Zacca, and M. N. Eberlin. 2013. “Whisky Analysis by Electrospray Ionization-Fourier Transform Mass Spectrometry.” Food Research International 51 (1): 98-106. . 

Fasciotti, M., P. M. Lalli, G. Heerdt, R. A. Steffen, Y. E. Corilo, G. F. de Sá, R. J. Daroda, F. A. M. Reis, N. H. Morgon, R. C. L. Pereira, M. N. Eberlin, and C. F. Klitzke. 2013. “Structure-Drift Time Relationships in Ion Mobility Mass Spectrometry.” International Journal for Ion Mobility Spectrometry 16 (2): 117-132. . 

Fasciotti, M., P. M. Lalli, C. F. Klitzke, Y. E. Corilo, M. A. Pudenzi, R. C. L. Pereira, W. Bastos, R. J. Daroda, and M. N. Eberlin. 2013. “Petroleomics by Traveling Wave Ion Mobility-Mass Spectrometry Using CO2 as a Drift Gas.” Energy and Fuels 27 (12): 7277-7286. . 

Corilo, Y. E., D. C. Podgorski, A. M. McKenna, K. L. Lemkau, C. M. Reddy, A. G. Marshall, and R. P. Rodgers. 2013. “Oil Spill Source Identification by Principal Component Analysis of Electrospray Ionization Fourier Transform Ion Cyclotron Resonance Mass Spectra.” Analytical Chemistry 85 (19): 9064-9069. . 

2012

Xian, F., Y. E. Corilo, C. L. Hendrickson, and A. G. Marshall. 2012. “Baseline Correction of Absorption-Mode Fourier Transform Ion Cyclotron Resonance Mass Spectra.” International Journal of Mass Spectrometry 325-327: 67-72. .

Klitzke, C. F., Y. E. Corilo, K. Siek, J. Binkley, J. Patrick, and M. N. Eberlin. 2012. “Petroleomics by Ultrahigh-Resolution Time-of-Flight Mass Spectrometry.” Energy and Fuels 26 (9): 5787-5794. . 

Haddad, R., T. Regiani, C. F. Klitzke, G. B. Sanvido, Y. E. Corilo, D. V. Augusti, V. M. D. Pasa, R. C. C. Pereira, W. Romão, B. G. Vaz, R. Augusti, and M. N. Eberlin. 2012. “Gasoline, Kerosene, and Diesel Fingerprinting Via Polar Markers.” Energy and Fuels 26 (6): 3542-3547. . 

Basher, M. M., Y. E. Corilo, R. Sparrapan, M. Benassi, R. Augusti, M. N. Eberlin, and J. M. Riveros. 2012. “Exploring the Intrinsic Polar [4 + 2+] Cycloaddition Reactivity of Gaseous Carbosulfonium and Carboxonium Ions.” Journal of Mass Spectrometry 47 (11): 1526-1535. . 

Ávila, B. M. F., B. G. Vaz, R. Pereira, A. O. Gomes, R. C. L. Pereira, Y. E. Corilo, R. C. Simas, H. D. L. Nascimento, M. N. Eberlin, and D. A. Azevedo. 2012. “Comprehensive Chemical Composition of Gas Oil Cuts Using Two-Dimensional Gas Chromatography with Time-of-Flight Mass Spectrometry and Electrospray Ionization Coupled to Fourier Transform Ion Cyclotron Resonance Mass Spectrometry.” Energy and Fuels 26 (8): 5069-5079. . 

2011

Vijayakrishnan, B., A. Issaree, Y. E. Corilo, C. R. Ferreira, M. N. Eberlin, and M. G. Peter. 2011. “MSn of the Six Isomers of (GlcN)2(GlcNAc)2 Aminoglucan Tetrasaccharides (Diacetylchitotetraoses): Rules of Fragmentation for the Sodiated Molecules and Application to Sequence Analysis of Hetero-Chitooligosaccharides.” Carbohydrate Polymers 84 (2): 713-726. . 

Simas, R. C., R. C. L. Pereira, C. F. Klitzke, Y. E. Corilo, B. G. Vaz, M. A. Pudenzi, E. M. Schmidt, H. D. L. Do Nascimento, E. T. De Morais, W. L. Bastos, and M. N. Eberlin. 2011. “Petroleomics: Rapid and Comprehensive Characterization of Crude Oil and Derivatives Via Ultra-High Resolution and Accuracy FT MS Mass Spectrometry.” Boletim de Geociencias da Petrobras 20 (1-2): 211-228. (no website; no DOI; Brazilian). 

Lalli, P. M., Y. E. Corilo, G. F. De Sa, R. J. Daroda, V. De Souza, G. H. M. F. Souza, I. Campuzano, G. Ebeling, J. Dupont, and M. N. Eberlin. 2011. “Intrinsic Mobility of Gaseous Cationic and Anionic Aggregates of Ionic Liquids.” ChemPhysChem 12 (8): 1444-1447. . 

Corilo, Y. E., F. M. Nachtigall, P. V. Abdelnur, G. Ebeling, J. Dupont, and M. N. Eberlin. 2011. “Charge-Tagged N-Heterocyclic Carbenes.” RSC Advances 1 (1): 73-78. . 

2010

Lalli, P. M., Y. E. Corilo, P. V. Abdelnur, M. N. Eberlin, and K. K. Laali. 2010. “Intrinsic Acidity and Electrophilicity of Gaseous Propargyl/Allenyl Carbocations.” Organic and Biomolecular Chemistry 8 (11): 2580-2585. . 

Sanvido, G. B., J. S. Garcia, Y. E. Corilo, B. G. Vaz, J. J. Zacca, R. G. Cosso, M. N. Eberlin, and M. G. Peter. 2010. “Fast Screening and Secure Confirmation of Milk Powder Adulteration with Maltodextrin Via Electrospray Ionization-Mass Spectrometry [ESI(+)-MS] and Selective Enzymatic Hydrolysis.” Journal of Agricultural and Food Chemistry 58 (17): 9407-9412. . 

Machado, M. W., C. S. Neto, J. Salgado, G. Zaffari, A. Barison, F. R. Campos, Y. E. de Corilo, M. N. Eberlin, and M. W. Biavatti. 2010. “Search for Alkaloids on Callus Culture of Passiflora alata.” Brazilian Archives of Biology and Technology 53 (4): 901-910. . 

Corilo, Y. E., B. G. Vaz, R. C. Simas, H. D. Lopes Nascimento, C. F. Klitzke, R. C. L. Pereira, W. L. Bastos, E. V. Santos Neto, R. P. Rodgers, and M. N. Eberlin. 2010. “Petroleomics by EASI(±) FT-ICR MS.” Analytical Chemistry 82 (10): 3990-3996. . 

Buskuhl, H., R. A. Freitas, F. D. Monache, A. Barison, F. R. Campos, Y. E. Corilo, M. N. Eberlin, and M. W. Biavatti. 2010. “Erratum: A New Polyacetylene from Vernonia scorpioides (Lam.) Pers. (Asteraceae) and Its in vitro Antitumoral Activity.” Journal of the Brazilian Chemical Society 21 (10): 2017.  

Buskuhl, H., F. L. De Oliveira, L. Z. Blind, R. A. De Freitas, A. Barison, F. R. Campos, Y. E. Corilo, M. N. Eberlin, G. F. Caramori, and M. W. Biavatti. 2010. “Sesquiterpene Lactones from Vernonia scorpioides and Their in vitro Cytotoxicity.” Phytochemistry 71 (13): 1539-1544. . 

2009

Wu, L., M. N. Eberlin, Y. E. Corilo, D. Q. Liu, and H. Yin. 2009. “Dimerization of Ionized 4-(Methyl Mercapto)-Phenol During ESI, APCI and APPI Mass Spectrometry.” Journal of Mass Spectrometry 44 (9): 1389-1394. . 

Romão, W., M. F. Franco, Y. E. Corilo, M. N. Eberlin, M. A. S. Spinacé, and M. A. De Paoli. 2009. “Poly (Ethylene Terephthalate) Thermo-Mechanical and Thermo-Oxidative Degradation Mechanisms.” Polymer Degradation and Stability 94 (10): 1849-1859. . 

Buskuhl, H., R. A. Freitas, F. D. Monache, A. Barison, F. R. Campos, Y. E. Corilo, M. N. Eberlin, and M. W. Biavatti. 2009. “A New Polyacetylene from Vernonia scorpioides (Lam.) Pers. (Asteraceae) and Its in vitro Antitumoral Activity.” Journal of the Brazilian Chemical Society 20 (7): 1327-1333. . 

Benassi, M., Y. E. Corilo, D. Uria, R. Augusti, and M. N. Eberlin. 2009. “Recognition and Resolution of Isomeric Alkyl Anilines by Mass Spectrometry.” Journal of the American Society for Mass Spectrometry 20 (2): 269-277. . 

Alborés, P., L. D. Slep, L. S. Eberlin, Y. E. Corilo, M. N. Eberlin, G. Benítez, M. E. Vela, R. C. Salvarezza, and L. M. Baraldo. 2009. “From Monomers to Geometry-Constrained Molecules: One Step Further toward Cyanide Bridged Wires.” Inorganic Chemistry 48 (23): 11226-11235. . 

2008

Nachtigall, F. M., Y. E. Corilo, C. C. Cassol, G. Ebeling, N. H. Morgon, J. Dupont, and M. N. Eberlin. 2008. “Multiply Charged (Di-)Radicals.” Angewandte Chemie - International Edition 47 (1): 151-154. . 

Corilo, Y. E., and M. N. Eberlin. 2008. “Recognizing Α-, Β- or Γ-Substitution in Pyridines by Mass Spectrometry.” Journal of Mass Spectrometry 43 (12): 1636-1640. .

Biochemistry, Lipidomics, Mass Spectrometry, Metabolomics, Proteomics

Dr. Kristin Burnum-Johnson is a senior scientist and an expert with the  Integrated Research Platform. Burnum-Johnson earned her PhD in Biochemistry from Vanderbilt University with Professor Richard M. Caprioli and then completed a postdoctoral fellowship at PNNL with Dr. Richard D. Smith.

Critical challenges in systems biology, ranging from environmental sustainability to human health, may be addressed through the comprehensive and informative view of underlying biological pathways provided by the integration of spatiotemporal multi-omic measurements (i.e., proteomics, metabolomics, and lipidomics). Her research is dedicated to achieving transformative molecular-level insights into environmental and biomedical systems by implementing advanced mass spectrometry (MS) instrumentation. Burnum-Johnson has over a decade of experience and more than 50 publications dedicated to the development and evaluation of in situ imaging MS, structural characterization of molecules using ion mobility-MS, and analyses of molecules in complex matrices using high-resolution MS. Her research program is funded by the U.S. Department of Energy (DOE) Biological and Environmental Research (BER) program, the DOE Bioenergy Technologies Office (BETO), and the National Institutes of Health (NIH).

Burnum-Johnson was selected to receive a 2019 Early Career Research Program Award from DOE’s Office of Science. As part of her DOE BER early career research program, she is applying a multi-omics approach to uncover the mechanisms that drive cooperative fungal-bacterial interactions that result in the degradation of lignocellulosic plant material in natural ecosystems. Insights obtained from these studies inform new strategies for producing advanced bioproducts and biofuels.

Atomic Force Microscopy, Chemistry, Mass Spectrometry, Materials Science, Physics, scanning electron microscopy, vibrational spectroscopy

  • Postdoctoral Scholar, University of California, Irvine
  • Visiting Scientist, California Institute of Technology
  • PhD, University of Delaware
  • BS, University of South Carolina

Biography

The Perrine research group focuses on understanding reactions and processes at surfaces and interfaces, from pure metals, oxides, minerals to heterogeneous materials. We use a surface chemistry and surface science approach to connect molecular-level reactions at the gas/solid and liquid/solid interface. We also design meso- and nano-architectured materials using surface functionalization methods for next-generation heterogeneous catalysts and materials. Our aim is to understand the fundamental physical and chemical processes at interfaces to unravel surface mechanisms and transformations of materials, addressing challenges in catalysis and environmental science.

A variety of surface analysis instruments are utilized to understand surface chemistry, including vibrational spectroscopy, electron spectroscopies, mass spectrometry, scanning electron microscopy, and atomic force microscopy. Our program is multidisciplinary encompassing the fields of chemistry, physics, materials science, and engineering. 

Links of Interest

  • Positions are open for undergraduate, masters, and PhD students.

Research Interests

  • Surface chemistry and interfacial science
  • Bridging reactions at the gas/solid and liquid/solid interfaces under model (ultra-high vacuum) and real (near ambient pressure) conditions
  • Designing metal-oxide architectures and nanostructures on various substrates; Atomic Layer Deposition and tailored growth approaches
  • Growth, properties, and reactions on heterogeneous structures for energy and environmental applications

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