UNIVERSITY OF PITTSBURGH DEPARTMENT OF “Innovations in Materials Chemistry” Symposium May 2-3, 2014

INTRODUCTION

UNIVERSITY OF PITTSBURGH DEPARTMENT OF CHEMISTRY “Innovations in Materials Chemistry” Symposium May 2-3, 2014

Plenary Speaker Professor Omar Yaghi, University of California, Berkeley

Keynote Speakers Professor Giulia Galli, University of Chicago Professor Colin Nuckolls, Columbia University Professor Dmitri Talapin, University of Chicago Professor Sara Skrabalak, Indiana University Professor Sandy Asher, University of Pittsburgh

Invited Speakers Professor Jennifer Aitken, Duquesne University Professor Geoff Hutchison, University of Pittsburgh Professor Rongchao Jin, Carnegie Mellon University Professor Jung-Kun Lee, University of Pittsburgh Professor Lei Li, University of Pittsburgh Professor Steven Little, University of Pittsburgh Dr. Chris Matranga, National Energy Technology Laboratory Professor Tara Meyer, University of Pittsburgh Professor Jill Millstone, University of Pittsburgh Dr. Kurt Olson, PPG Industries Professor Daniel Lambrecht, University of Pittsburgh Professor Alex Star, University of Pittsburgh

Financial support provided by PPG

INNOVATIONS IN MATERIALS CHEMISTRY | 1 SPEAKERS CONT.

the storage and separation of hydrogen, methane, and carbon dioxide, and in clean water production and delivery, supercapacitor devices, proton and electron conductive systems. The building block approach he developed has led to an explosive growth in the creation of new materials having a diversity and multiplicity previously unknown in chemistry. He termed this field ‘Reticular Chemistry’ and defines it as ‘stitching molecular building blocks into extended structures by strong bonds’. He published over 190 articles which have received an average of over 300 citations per paper. He is listed among the top two most highly cited chemists worldwide.

INNOVATIONS IN MATERIALS CHEMISTRY | 22 SCHEDULE OF EVENTS

Friday, May 2, 2014

8:30 – 9 a.m. Continental Breakfast (speakers only), Ashe Lobby Chevron Science Center Friday Morning Session I, CSC 150; Professor Nathaniel Rosi presiding 9 a.m. Opening Remarks N. John Cooper, Bailey Dean, Dietrich School of Arts and Sciences 9:10 a.m. Professor Tara Meyer, University of Pittsburgh, Department of Chemistry 9:30 a.m. Professor Geoff Hutchison, University of Pittsburgh, Department of Chemistry 9:50 a.m. Professor Steven Little, University of Pittsburgh, Department of Chemical and Petroleum Engineering 10:10 a.m. Coffee Break

Friday Morning Session II, CSC 150; Professor Ken Jordan presiding 10:20 a.m. Keynote 1 Professor Giulia Galli, University of Chicago 11 a.m. Professor Rongchao Jin, Carnegie Mellon University, Department of Chemistry 11:20 a.m. Professor Jill Millstone, University of Pittsburgh, Department of Chemistry 11:40 a.m. Dr. Kurt Olson, PPG Industries Noon – 1:30 p.m. Lunch

Friday Afternoon Session, CSC 150; Professor Nathaniel Rosi presiding 1:40 p.m. Keynote 2 Professor Colin Nuckolls, Columbia University 2:20 p.m. Professor Daniel Lambrecht, University of Pittsburgh, Department of Chemistry 2:40 p.m. Professor Alex Star, University of Pittsburgh, Department of Chemistry 3 p.m. Professor Lei Li, University of Pittsburgh, Department of Chemical and Petroleum Engineering 3:20 – 4 p.m. Poster Session, Ashe Lobby Continued...

INNOVATIONS IN MATERIALS CHEMISTRY | 2 SPEAKERS

Omar M. Yaghi Department of Chemistry University of California Berkeley and Kavli Nanosciences Institute at Berkeley

Title: “‘Heterogeneity in order’ for clean energy and water”

ABSTRACT: Most crystalline materials tend to be simple, in that their structure is made up from few kinds of building unit. The assembly of large and extended structures from multiply varied building units often yields amorphous materials or many phases containing few building units rather than phases containing multiple building units. This presentation will outline a new strategy for incorporating heterogeneously arranged chemical units into ordered frameworks to yield unusual selectivity to carbon dioxide capture, ultrahigh methane storage, and clean water generation.

BIO: Omar M. Yaghi received his BS degree from State University of New York-Albany (1985), and PhD from the University of Illinois-Urbana (1990) with Professor Walter G. Klemperer. He was an NSF Postdoctoral Fellow at Harvard University (1990-1992) with Professor Richard H. Holm. He has been on the faculties of Arizona State University (1992-1998), (1999-2006), and UCLA (2007-2011). He is currently the James and Neeltje Tretter Chair Professor of Chemistry at UC Berkeley, and a Faculty Scientist at Lawrence Berkeley National Laboratory. He is the Founding Director of the Center for Global Science at Berkeley. He is also the Co-Director of the Kavli Nanoscienes Institute, and the West Coast Innovation Lab California-BASF.

His early accomplishments in the design and synthesis of new materials have been honored by the Solid-State Chemistry Award of the American Chemical Society and Exxon Co. (1998) and the Sacconi Medal of the Italian Chemical Society (1999). His work on hydrogen storage was recognized by Popular Science Magazine which listed him among the ‘Brilliant 10’ scientists and engineers in USA (2006), and the US Department of Energy Hydrogen Program Award for outstanding contributions to hydrogen storage (2007). He was the sole recipient of the Materials Research Society Medal for pioneering work in the theory, design, synthesis and applications of metal-organic frameworks and the AAAS Newcomb Cleveland Prize for the best paper published in Science (2007). He is the recipient of the American Chemical Society Chemistry of Materials Award (2009). His work encompasses the synthesis, structure and properties of inorganic and organic compounds and the design and construction of new crystalline materials. He is widely known for inventing several extensive classes of new materials termed metal-organic frameworks, covalent organic frameworks, and zeolitic imidazolate frameworks. These materials have the highest surface areas known to date, making them useful in clean energy storage and generation. Specifically, applications of his materials are found in

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SCHEDULE OF EVENTS CONTINUED

Plenary Session, CSC 150; Professor Nathaniel Rosi presiding 4:10 – 5:10 p.m. Plenary Lecture Professor Omar Yaghi, University of California, Berkeley

Evening 5:10 – 6:30 p.m. Free Time 6:30 p.m. Dinner (invitation only) Keynote 3 Dinner Lecture Professor Sandy Asher, University of Pittsburgh, Department of Chemistry

Saturday, May 3, 2014

8:20 – 9 a.m. Continental Breakfast (speakers only), Ashe Lobby Chevron Science Center Saturday Morning Session, CSC 150; Professor Jill Millstone presiding 9 a.m. Keynote 4 Professor Dmitri Talapin, University of Chicago 9:40 a.m. Professor Jennifer Aitken, Duquesne University, Department of Chemistry 10 a.m. Keynote 5 Professor Sara Skrabalak, Indiana University, Department of Chemistry 10:40 a.m. Coffee Break 10:55 a.m. Dr. Chris Matranga, National Energy Technology Laboratory 11:15 a.m. Professor Jung-Kun Lee, University of Pittsburgh, Department of Mechanical Engineering and Materials Science 11:35 a.m. Closing Remarks 11:45 a.m. Depart

INNOVATIONS IN MATERIALS CHEMISTRY | 3 SPEAKERS

Dmitri V. Talapin Department of Chemistry and James Franck Institute University of Chicago

Title: “When nanocrystals work as a team: collective properties of nanocrystal solids”

ABSTRACT: Development of synthetic methods for well-defined nanostructures has introduced new approaches for engineering functional materials. Single- and multicomponent nanocrystal arrays provide a powerful general platform for designing two- and three- dimensional solids with tailored electronic, magnetic, optical and catalytic properties. Unlike atomic and molecular crystals where atoms, lattice geometry, and interatomic distances are fixed entities, the nanocrystal arrays represent ensembles of “designer atoms” with potential for continuous tuning their physical and chemical properties. We have designed different approaches to engineer nanocrystal structure and surface chemistry for various applications. I will particularly discuss the role of surface engineering for electronic properties of nanocrystal arrays. Efficient charge transport is critical for many nanocrystal-based electronic and optoelectronic devices. We developed inorganic chalcogenidometalate surface ligands that enabled record electron mobility in nanocrystal arrays. New all-inorganic colloidal nanocrystals have been used to make solution processed field-effect transistors with electron mobility over 500 cm2/Vs, thermoelectric materials with ZT>1.2 and solar cells with the power conversion efficiency 12%. Nano-heterostructures with electronic structure of quantum wells show prospects for solution-processed lasers, significantly outperforming quantum dots in the amplified spontaneous emission threshold. All these examples demonstrate potential of colloidal nanostructures for real-world technologies and applications.

BIO: Dmitri Talapin is a professor in the Department of Chemistry at University of Chicago. His research interests revolve around colloidal inorganic nanomaterials, spanning from synthetic methodology to device fabrication, with the desire of turning colloidal nanostructures into competitive materials for electronics and optoelectronics. He received his doctorate degree from University of Hamburg, Germany in 2002 under supervision of Horst Weller. In 2003 he joined IBM Research Division at T. J. Watson Research Center as a postdoctoral fellow to work with Chris Murray on synthesis and self-assembly of semiconductor nanostructures. In 2005 he moved to Lawrence Berkeley National Laboratory as a staff scientist at the Molecular Foundry and finally joined faculty at the University of Chicago in 2007. His recent recognitions include MRS Outstanding Young Investigator Award (2011); Camille Dreyfus Teacher Scholar Award (2010); David and Lucile Packard Fellowship in Science and Engineering (2009); NSF CAREER Award (2009) and Alfred P. Sloan Research Fellowship (2009).

INNOVATIONS IN MATERIALS CHEMISTRY | 20 SPEAKERS

Jennifer A. Aitken Department of Chemistry and Biochemistry Duquesne University

Title: “Composition-Property and Structure- Property Correlations in Multi-Cation Diamond-like Semiconductors”

ABSTRACT: Diamond-like semiconductors (DLSs) possess crystal structures that can be considered as derivatives of cubic or hexagonal diamond. DLSs are one of the few classes of solid-state compounds, for which all chemical compositions can be calculated and a set of possible structures postulated. The use of the many elements that can adopt tetrahedral coordination leads to thousands of possible compounds, and solid solutions thereof, that can be exploited for physical property tuning. The compositional flexibility and structural simplicity of these materials provides an avenue to develop an intimate understanding of composition-property and structure-property correlations. DLSs have already found utility in important technologies such as light emitting diodes, solar cells and nonlinear optics. Yet researchers continue to look for new and improved DLS materials for these applications, as society demands for multifunctional, highly efficient and cost effective materials increase. Additionally DLSs have shown potential in other areas, such as thermoelectrics, spintronics and photothermoelectrics, but have not yet been fully explored or optimized. Once considered too exotic to easily incorporate into devices traditionally dominated by the simple, binary DLSs, multi-cation DLSs are becoming increasingly sought after. This talk will focus on the synthesis, crystal structure, electronic structure and physicochemical properties of new ternary and quaternary DLSs.

BIO: Jennifer A. Aitken was born in Jersey City, New Jersey in 1974. She received her BS in chemistry in 1996 from Rider University, where she performed research on the preparation of oxynitrides via ammonolysis. In 2001, she received her PhD in inorganic chemistry from Michigan State University under the guidance of Professor Mercouri Kanatzidis. Her PhD work focused on the use of polychalcophosphate and polychalcogenide fluxes as tools for the synthesis of new metal thio- and selenophosphates and lithium chalcogenides at intermediate temperatures. She was a postdoctoral research associate in Professor Stephanie Brock’s research group at Wayne State University from 2001-2003. While there, she worked on the synthesis and characterization of dilute magnetic, semiconducting phosphide materials. She started the position of assistant professor in the Department of Chemistry and Biochemistry at Duquesne University in Pittsburgh, PA in 2003. She was promoted to associate professor with tenure in 2009. Her current research focuses on the synthesis and study of multi-cation diamond-like semiconductors with applications in nonlinear optics, thermoelectrics and other areas. A central theme of the work is the elucidation of structure-property and composition- property correlations in the diamond-like materials for the purpose of controlled physical property tuning. INNOVATIONS IN MATERIALS CHEMISTRY | 4 SPEAKERS

Alexander Star Department of Chemistry University of Pittsburgh

Title: “Corking and Uncorking of Carbon Nanotube Cups”

ABSTRACT: Having unique cup-shaped morphology, nitrogen-doped carbon nanotube cups (NCNCs), are derived from nitrogen-doped carbon nanotubes by chemical and physical separation of the individual cups from their stacking conformation. Given the intrinsic localized nitrogen functionalities on their open rims, NCNCs exhibit strong affinity towards in situ synthesized gold nanoparticles (GNPs), which preferentially decorate on the opening of the nanocups and form corks sealing their interior space. Mechanistic study shows that the growth of the GNP corks starts from the nucleation and welding of gold seeds on the open rims of NCNCs enriched with nitrogen functional groups, which is in good agreement with density functional theory (DFT) calculations. As a potential self-confined drug delivery vehicle, the GNP-corked NCNCs can be readily degraded under physiological conditions by a potent oxidizing enzyme from neutrophils, myeloperoxidase (MPO). Notably, MPO not only functions as the oxidizing agent to degrade the graphitic shell, but also effectively opens the corked NCNCs though GNP detachment at the early stage of degradation. After in vitro test with human neutrophils, this controlled opening and degradation scheme utilizing MPO may shed light on the potential of using the GNPs-corked NCNCs as a novel drug delivery system.

BIO: Alexander Star is associate professor of chemistry and bioengineering at the University of Pittsburgh. His current research is focused on synthesis and properties of carbon nanomaterials and their applications in sensors, energy conversion devices, and drug delivery. Originally from Kazakhstan, Alex received his BS and PhD degrees in chemistry from Tel-Aviv University in 1994 and 2000, respectively. He then spent two years as a postdoctoral fellow in J. Fraser Stoddart group at California NanoSystems Institute at University of California, Los Angeles. Between 2002 and 2005 Alex served as Senior Scientist and Manager of Applications Development at Nanomix, Inc. – a startup company – where he worked on development and commercialization of carbon nanotube-based sensors. He joined the chemistry faculty at the University of Pittsburgh in 2005. Alex received a number of awards, including NIEHS Outstanding New Environmental Scientist (ONES) Award, NSF CAREER Award, University of Pittsburgh Innovator Award, and Chancellor’s Distinguished Research Award.

INNOVATIONS IN MATERIALS CHEMISTRY | 19 SPEAKERS

Sanford A. Asher Department of Chemistry University of Pittsburgh

Title: “Responsive 2-D and 3-D Photonic Crystal Materials and Devices”

ABSTRACT: We pioneered the development of electrostatically self assembling photonic crystals where monodisperse colloidal particles spontaneously form face centered cubic arrays within polymerizing hydrogel and organogel materials. These materials are both pretty and technologically functional, showing commercial coating applications. Our most recent work demonstrates intense Bragg diffracting photonic crystals formed by self assembling 2D hexagonal arrays of dielectric particles. We develop responsive hydrogels and organogels that show volume phase transitions (VPT) that alter the diffraction and color of the incorporated photonic crystals. These VPT enable these materials to act as chemical sensing materials. We recently developed methods to prepare protein hydrogels that show the selective ligand binding present in the precursor native proteins. However, the hydrogel proteins act collectively to show hydrogel VPT. We also employ ionic liquids as the mobile phase to enable responsive organogel VPT.

BIO: Sanford A. Asher, Distinguished Professor of Chemistry at the University of Pittsburgh received his BA in chemistry at the University of Missouri, St. Louis in 1971 and completed his PhD in chemistry at the University of California, Berkeley in 1977. Dr. Asher was a Research Fellow in Applied Physics at Harvard University between 1977 and 1980. In 1980 he became Assistant Professor of Chemistry at the University of Pittsburgh. Dr. Asher’s research program at Pitt has involved development of new materials and the development of new spectroscopic techniques. His group developed UV resonance Raman spectroscopy as a new technique for fundamental and applied structural and trace studies of molecules in complex matrices. His group is using UV resonance Raman to examine the first stages in protein folding. In addition, they are investigating the use of UV resonance Raman for the detection of explosive molecules, especially for stand-off detection. In addition, Dr. Asher’s research group pioneered the development of photonic crystal materials, optical devices and chemical sensing devices from self-assembling colloidal particles. He pioneered the development of smart hydrogel materials for chemical sensing. Dr. Asher has received numerous awards. He is the recipient of the 2011 Charles E. Kaufman Award and the 2008 Pittsburgh Spectroscopy Award. He is a Fellow of the Society of Applied Spectroscopy, received the Sigi Ziering Award from the American Society of Clinical Chemistry (2005), The University of Missouri – St. Louis Distinguished Alumni Award (2004), the ACS Pittsburgh Award (2002), the Ellis R. Lippincott Award from the Optical Society of America (2002), the Pittsburgh Technology Council EnterPrize Award (2000), the Coblentz Society’s Bomem-Michelson Award (1999), the Society for Applied Spectroscopy’s Lester W.

INNOVATIONS IN MATERIALS CHEMISTRY | 5 SPEAKERS

Sarah Skrabalak Department of Chemistry Indiana University

Title: “From Synthesis to Materials Design: New Nanostructures and New Catalysts”

ABSTRACT: Metal nanostructures promise to address needs in catalysis, nanomedicine, chemical sensing and more, with the physical and chemical properties of metal nanocrystals determined by a set of structural parameters that include their size, shape, composition, and architecture. Eloquent examples of metal nanostructures prepared by colloidal methods exist. However, fundamental questions about the transformations from metal precursor to metal nanostructure remain and the rational synthesis of new nanostructures is often elusive. Inspired by principles of coordination chemistry, guidelines for the synthesis of structurally defined monometallic and bimetallic nanostructures based on precursor selection will be outlined. These guidelines are supported by in -situ studies of nanostructure formation via synchrotron scattering techniques, where the local ligand environment of metal precursors was found to influence nanostructure growth rates and in turn nanostructure morphology. These advances in synthesis offer the strategies necessary to achieve new nanostructures designed for specific function, and this presentation will conclude with examples in which advanced nanomaterial synthesis provides new nanoscale platforms for catalysis.

BIO: Dr. Sara Skrabalak received her BA in chemistry from Washington University in St. Louis in 2002 where she conducted research with Professor William E. Buhro. She completed her PhD degree in chemistry from the University of Illinois at Urbana-Champaign in fall of 2006 under the tutelage of Professor Kenneth S. Suslick. She then conducted postdoctoral research at the University of Washington – Seattle with Professors Younan Xia and Xingde Li. She is an assistant professor of chemistry at Indiana University – Bloomington and a recipient of both an NSF CAREER Award and DOE Early Career Award. She is a 2012 Research Corporation Cottrell Scholar, a 2013 Sloan Research Fellow, and was recently selected for the 2014 ACS Award in Pure Chemistry. This award is sponsored by Alpha Chi Sigma and recognizes young scholars who have “accomplished research of unusual merit for an individual on the threshold of her or his career” in pure chemistry. Her research group focuses on nanomaterial design and synthesis (http://www.indiana.edu/~skrablab/).

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Strock Award (1998), the University of Pittsburgh’s Chancellor’s Distinguished Research Award (1996), the American Chemical Society Award in Spectrochemical Analysis (1994), the American Heart Association Established Investigator Award (1984) and an NIH Career Development Award (1984). Professor Asher served as the Co-Director of the Materials Research Center of the University of Pittsburgh. He was the Chairman of the XV International Conference on Raman Spectroscopy held in Pittsburgh in 1996. He is Scientific Founder and Chairman of the Scientific Advisory Board of the startup company Vytrace Corp. (previously Glucose Sensing Technologies, LLC.), and is on the Scientific Advisory Boards of BioTools Inc. and Crystalplex Co. He consults for companies such as PPG Industries, ChemImage Corporation, Glucose Sensing Technologies, LLC, and ThermoFisher Co. He is the author of greater than 280 publications and is the inventor in over 29 patents in the area of photonic crystals.

INNOVATIONS IN MATERIALS CHEMISTRY | 6 SPEAKERS

Kurt Olson R&D Fellow PPG Industries

Title: “Practical Applications of Materials Science in the Coatings Industry”

ABSTRACT: Coatings science relies on various aspects of materials science in order to provide value added products for our varied customer base. Polymer design, nanotechnology, functional surfaces, corrosion science, rheology control, particle dispersion, and photooxidative stability are scientific disciplines routinely called on in the development of commercially successful coatings products. Several examples of the interplay between materials science and commercially successful products will be discussed.

BIO: Kurt Olson is R&D Fellow for PPG Industries. He began his career with PPG in 1981 as a research chemist. After promoting through the technical hierarchy, he promoted to Manager, Automotive Resin Research in 1991; Manager, Automotive Spray Technology in 1998; Associate Director, Automotive Coatings in 1999, and Associate Director, OEM Polymer Synthesis in 2010. Kurt was promoted to his current position of R&D Fellow effective September 1, 2011.

His accomplishments include numerous contributions to the advancement of coatings science. His 52 patents cover a wide area of coating technology including polymer synthesis and coatings formulations for electrodeposition, powder coatings, and waterborne systems. Kurt has participated in the successful commercial development of CeramiClear clearcoat which received a PACE Award in 2003; the development of automotive waterborne basecoats and compact processes, and a powder clearcoat for automotive applications which received an IR 100 Award in 2002. Additionally, Kurt was elected to the PPG Collegium in 2004, elected president of the PPG Collegium in 2010, and the Pittsburgh Award in 2011.

A native of Pennsylvania, Olson earned a bachelor’s degree in chemistry from Ursinus College in Collegeville, PA and a doctorate in organic chemistry from the University of Florida in Gainesville, FL.

INNOVATIONS IN MATERIALS CHEMISTRY | 17 SPEAKERS

Giulia Galli Institute for Molecular Engineering University of Chicago

Title: “Predicting complex materials properties with first principles calculations”

ABSTRACT: We will focus on predictions of the chemical and physical properties of complex materials for energy applications, including solar, photo-electrochemical, and thermoelectric energy conversion. We will discuss two intertwined questions: what is the impact of microscopic theories and first principles simulations on energy related problems? How do we take up the challenge of building much needed tighter connections between computational and laboratory experiments?

BIO: Giulia Galli is the Liew Family professor of electronic structure and simulations at the Institute for Molecular Engineering, at the University of Chicago, and Senior Scientist at Argonne National Laboratory. She holds a PhD in Physics from the International School of Advanced Studies in Trieste, Italy. Prior to joining the University of Chicago faculty, she was the head of the Quantum Simulations group at the Lawrence Livermore National Laboratory, and then professor of Chemistry and Physics at the University of California at Davis. She is a Fellow of the American Physical Society and of the American Academy of Arts and Sciences. She is the recipient of an award of excellence from the Department of Energy and of the Science and Technology Award from the Lawrence Livermore National Laboratory.

INNOVATIONS IN MATERIALS CHEMISTRY | 7 SPEAKERS

Colin Nuckolls Department of Chemistry Columbia University

Title: “Marrying Molecules with Electronics”

ABSTRACT: This lecture will describe the design, synthesis, and study of molecules as electronic materials. We will describe new single molecule electronic measurements on designer molecules. These studies provided a foundation to create a new class of solid-state material that are formed from the self-assembly of atomically defined clusters.

BIO: Colin Nuckolls was born at the Lakenheath RAF base in Great Britain in 1970. He carried out his undergraduate studies at the University of Texas at Austin, studying with Marye Anne Fox, and he received the PhD in 1998 from Columbia University, where he studied with Thomas Katz. He was an NIH post-doctoral fellow with Julius Rebek, Jr., at the Scripps Research Institute. He joined the faculty at Columbia University in 2000, was promoted to the rank of full professor in 2006, and was the Chairman of the Department from 2008–2011. He is an associate editor for the Royal Society of Chemistry journal, Chemical Science. He is a founding member of the Columbia University Nanoscience Center. His research, at the intersection of organic chemistry, materials science, and nanoscience, is directed toward the synthesis of new types of electronic materials and uniquely functioning devices, goals he is working to achieve by combining the synthesis of new molecular species, state of the art lithography, unique reaction chemistry, and unusual modes of self-assembly.

Nuckolls has authored over 160 research publications.

Awards he has received for his achievements include the following: • 2012 Wheland Medal Winner, University of Chicago • 2011 Named “Honorable Professor” at Shanghai Normal University • 009 Leo Hendrik Baekeland Award, North Jersey Section, ACS • Columbia University’s 2008 Lenfest Distinguished Faculty Award • 2008 American Chemical Society Arthur C. Cope Scholar Award • Award as a finalist in the 2007 New York Academy of Sciences Blavatnik Award competition • 2004 New York City Mayor’s Medal for Science and Technology for a Young Investigator • Camille Dreyfus Teacher Scholar Award • Alfred P. Sloan Foundation Research Fellowship • NSF, CAREER Award • Beckman Young Investigator Award • Dupont Young Investigator Award • James D. Watson Investigator Award of the New York State Technology and Academic Research Foundation INNOVATIONS IN MATERIALS CHEMISTRY | 16 SPEAKERS

Geoff Hutchinson Department of Chemistry University of Pittsburgh

Title: “Rapid Rational Design of Polymer Solar Cells: Should We Trust the Computer”

ABSTRACT: Present social and economic demands on energy sources are driving fundamental science and engineering research into alternative energy technologies. Our research focuses on combined experimental and efficient computational exploration of organic photovoltaics and piezoelectrics. We seek to find optimum or nearly-optimum materials properties through a combination of inverse design, genetic algorithms, and automated electronic structure calculations, combined with experimental synthesis and verification. In this talk, surprising new design rules uncovered using computational design will be discussed, including novel monomers and polymers for solar cell applications, as well as “evolved” nanoscale morphologies with improved charge transport. In some cases, we have verified our computational predictions, and we will discuss what we learn from unverified simulation results.

BIO: Dr. Geoffrey Hutchison received a BA degree in chemistry from Williams College in 1999, conducting research with Professor Lee Park and Professor Enrique Peacock-Lopez. He received his PhD in chemistry from in January 2004 jointly with Professor Tobin J. Marks and Professor Mark A. Ratner, studying transparent conducting polymers. Following his graduate work, he was a postdoctoral associate at Cornell University, working with Professor Héctor D. Abruña and studied multi-metallic single-molecule transistors and lithium-ion batteries. He is an assistant professor of chemistry at the University of Pittsburgh, and the recipient of the 2012 Research Corporation Cottrell Scholar award. His research at Pitt focuses on the combination of experiments and simulations to rapidly design novel organic materials for piezoelectric and photovoltaic applications. (http://hutchison.chem.pitt.edu/)

INNOVATIONS IN MATERIALS CHEMISTRY | 8 SPEAKERS

Jill Millstone Department of Chemistry University of Pittsburgh

Title: “Solution Phase Strategies for Metal Nanoparticle Growth on Colloidal Plasmonic Substrates”

ABSTRACT: Nanoscale platinum materials have been transformative components of many critical technologies including catalytic converters and fuel cells. Combining platinum with other metals can enhance its performance and/or decrease the cost of the technology, and a wide range of strategies have been developed to capitalize on these advantages. However, wet chemical syntheses of Pt-based particles is challenging due to the complex speciation of platinum ion precursors. Here, we study the impact of this speciation on the appearance of well-known motifs such as frame-like and core-shell morphologies in Au-Pt nanoparticle systems. We then use this insight to induce a controlled transition from surface chemistry to redox-mediated growth pathways in the resulting multi-metallic nanoparticles. The reaction is followed by electron microscopy techniques, as well as X-ray photoelectron spectroscopy, inductively coupled plasma mass spectrometry, and 195Pt-NMR. Taken together, these studies indicate a crucial parameter in the synthesis of Pt-based nanomaterials and should shed light on seemingly similar synthetic routes that produce disparate particle outcomes. Further, the elucidation of such mechanistic features allowed the observation of ligand supramolecular assembly as a promising tool for on-particle patterning.

BIO: Jill Millstone received her BS in chemistry and english from Carnegie Mellon University. She then completed a PhD in materials chemistry under the direction of Professor Chad A. Mirkin at Northwestern University, where she worked in the area of metal nanoparticles. Following completion of her PhD, she conducted post-doctoral research at the University of California, Berkeley studying the impact of nanocrystal surface chemistry on charge transfer in hybrid organic-inorganic photovoltaics with Professors Jean M. J. Fréchet and A. Paul Alivisatos. In the fall of 2011, Professor Millstone joined the Department of Chemistry at the University of Pittsburgh as an assistant professor. She has published over 25 peer-reviewed articles, holds a US Patent, and in December 2012, received the NSF-CAREER Award for her work in colloidal nanoparticle alloys.

INNOVATIONS IN MATERIALS CHEMISTRY | 15 SPEAKERS

Rongchao Jin Department of Chemistry Carnegie Mellon University

Title: “Total Structures of Atomically Precise Gold Nanoparticles and Beyond”

ABSTRACT: Determining the total structures of nanoparticles constitutes a major goal in nanoscience research. Gold nanoparticles are particularly attractive due to their extraordinary stability and elegant optical properties. A prerequisite to total structure determination is to obtain atomically precise nanoparticles, which had been a major challenge in the past research and thus hampered the pursuit of fundamental science of nanoparticles. We have recently developed successful methodologies for synthesizing a series of atomically precise gold nanoparticles protected by thiolates (denoted as Aun(SR)m, with n ranging from a few dozens to several hundreds). Such ultrasmall nanoparticles (ca. 1−3 nm) exhibit distinct quantum size effects and interesting electronic/optical properties, which are fundamentally different from their larger counterparts–plasmonic nanoparticles. New types of atom-packing structures have been discovered in Aun(SR)m nanoparticles through X-ray crystallographic analysis. These well-defined nanoclusters hold potential in catalysis as new model catalysts, and atomic level structure-reactivity correlation will ultimately offer fundamental understanding on nanocatalysis.

BIO: Rongchao Jin received his BS in chemical physics from the University of Science and Technology of China (USTC) in 1995, and MS in physical chemistry/catalysis from Dalian Institute of Chemical Physics (DICP) of the Chinese Academy of Sciences in 1998, and PhD in chemistry from Northwestern University in 2003. In his PhD work, he worked with Professor Chad A. Mirkin (and Professor George C. Schatz) on noble metal nanocrystal synthesis, optical properties, and biological applications. After his PhD, he worked at the University of Chicago as research associate with Professor Norbert F. Scherer, and studied femtosecond laser excited second harmonic generation (SHG) from single metal nanoparticles. In the fall of 2006, he joined the chemistry faculty of Carnegie Mellon University and was promoted to tenured associate professor in 2012. His current research interests are atomically precise nanoparticles, optics of nanoparticles, and catalysis.

INNOVATIONS IN MATERIALS CHEMISTRY | 9 SPEAKERS

Tara Meyer Department of Chemistry University of Pittsburgh

Title: “Sequence Matters: Controlling Polymer Bulk Properties using Monomer Sequence”

ABSTRACT: The creation of polymers with a high degree of sequence- and/or stereo-control represents a new frontier in materials science. The potential value of sequence in synthetic polymers can be seen in Nature’s example: exact sequences of a limited number of monomeric building blocks combine to produce complex macromolecules whose function matches precisely to need. Poly(lactic-co-glycolic acid) (PLGA) is a polymer that is valued for originating from biorenewable resources and for exhibiting hydrolytic degradation to give metabolizable products. The ability to tune the properties of PLGAs has, until recently, been limited to control of molecular weight and the adjustment of the glycolic to lactic acid ratio. Using segmer assembly polymerization, a variety of sequenced PLGAs have been prepared. Sequence fidelity is demonstrated by examination of the MALDI-MS data and sequence specific bulk behavior by characterization of the thermal and mechanical properties of the polymers. Sequence specific hydrolysis behaviors can be seen in both the degradation profile and the penetration of water into the bulk.

BIO: Tara Y. Meyer received her BA from Grinnell College in 1991, and her PhD from the in 1991. Her doctoral thesis, under the supervision of Professor Louis Messerle, focused on the reactivity of early transition metal acyl complexes. She carried out postdoctoral work at both the University of Iowa (1991-1992) under the supervision of Professor Richard F. Jordan and at the University of California, Berkeley (1992-1994) under the joint supervision of Professor Robert G. Bergman and Bruce M. Novak. Dr. Meyer joined the faculty at the University of Pittsburgh in 1994. Her work has been recognized by both CAREER and Sloan Foundation Awards and a sabbatical stay at MIT (2003) was supported by an NIH Ruth L. Kirschstein National Research Service Award. Dr. Meyer’s research focuses on synthesis and structure/function studies on repeating sequence copolymers and on the design of stimuli responsive materials.

INNOVATIONS IN MATERIALS CHEMISTRY | 14 SPEAKERS

Daniel Lambrecht Department of Chemistry University of Pittsburgh

Title: “First principles modeling of organic piezoelectric materials”

ABSTRACT: Organic piezoelectric materials are promising targets for applications in mechanical sensing, for energy harvesting, and as nano-actuators. We present new quantum chemical methodologies to predict the electromechanical response of molecular crystals and polymers from first principles. Using a simple analytical expression, we derive a rationale for the efficient and accurate prediction of mechanical tensors to guide the development of materials with tailored mechanical and electromechanical properties.

BIO: Daniel Lambrecht received a master’s degree (Dipl.-Chem.) in theoretical & computational chemistry from the University of Duesseldorf (Germany) and a PhD in theoretical chemistry from the University of Tuebingen (Germany). After a postdoctoral stay at the University of California at Berkeley with Martin Head-Gordon, Dr. Lambrecht joined the faculty at the University of Pittsburgh in 2012. Research in the Lambrecht group involves the development and application of efficient quantum chemical tools for catalysis, energy materials, and spectroscopy. Examples includes density embedding techniques to facilitate first principles calculations of the energetics for nano-particles with several hundreds of atoms, expedited techniques for the simulation of electron paramagnetic resonance spectral parameters, and the prediction of electromechanical properties for organic energy materials.

INNOVATIONS IN MATERIALS CHEMISTRY | 10 SPEAKERS

Christopher Matranga National Energy Technology Labratory

Title: “Gold-based Nanomaterials for Catalytic CO2 Conversion Applications”

ABSTRACT: Managing carbon emissions is one of the most pressing issues currently faced by the energy sector. In addition to technical challenges associated with the capture and storage of CO2, are cost issues that make implementation of these technologies impractical. One interesting approach for dealing with these issues is to catalytically convert CO2 into liquid fuels, olefins, aromatics, and industrial chemicals that can be sold to offset carbon management costs. This approach requires the development of novel catalysts capable of utilizing carbon- friendly forms of energy to activate CO2 and drive a chemical reaction. My talk will focus on two Au-based catalyst currently being developed for CO2 applications. The first system is based on atomically precise Au25q clusters (q = -1, 0, +1) where we have manipulated the electronic structure and ground-state charge of the cluster to tailor its interaction with CO2, H+, OH-, O2 and other key species in order to improve electrocatalytic activity and direct chemical reaction pathways. The second system is based on Au-ZnO heterostructures where visible-light plasmonic excitations in Au nanoparticles are used to generate heat and drive chemical reactions on the ZnO substrate. These two systems demonstrate how the size of Au nanoparticles can be altered to create dramatically different electronic structures (bound vs. free electrons), modulate catalytic activity, and impact how we finally utilize these materials for different catalysis applications.

BIO: Christopher Matranga received his PhD in physical chemistry from the University of Chicago (2002), where he studied with Professor Philippe Guyot-Sionnest. He then transitioned to the National Energy Technology Laboratory as a National Research Council post-doctoral fellow and currently serves as the Leader of the Fundamental Materials Science Team there. His research interests involve the design, synthesis, and characterization of new catalysts and sorbents for energy applications. In recent years, this work has focused on developing methods to manipulate the electronic structure and chemical reactivity of nanomaterials and solid state systems specifically for applications involving the catalytic reduction of CO2 to fuels and industrial chemicals.

INNOVATIONS IN MATERIALS CHEMISTRY | 13 SPEAKERS

Jung-Kun Lee Department of Mechanical Engineering and Materials Science University of Pittsburgh

Title: “Study on Enhanced Carrier Transport in Photoelectrochemical Cells”

ABSTRACT: Significant progress has been made in the past few decades on the fabrication of various nanostructured materials. These emerging materials will enable new opportunities for future technological innovation. Possible areas where nanostructured materials will have a unique niche are in photoelectrochemical cells (PECs). This talk will present the results of recent research on the carrier transport in PECs using engineered nanostructure materials. PEC cells with a photoelectrode of semiconductor nanoparticles have been extensively studied for a decade. One of major challenges to improve the energy conversion efficiency of the PECs is how to efficiently extract photogenerated carriers through the photoelectrode. In fact, the greatest inefficiencies associated with the carrier extraction are traced to the photoelectrodes, which are made out of oxide nanoparticles and transparent conducting electrode (TCO). The first part of the presentation will be focused on the surface engineering to improve the energy conversion efficiency of dye sensitized solar cells (DSCs) which is a part of PECs. I will show the charge transport characteristics, including the electron diffusion coefficient and the charge recombination behaviors can be significantly improved by modifying the surface of TiO2 nanoparticles. To this end, nanowires or surface treated nanoparticles were exploited to suppress the back electron transfer, leading to higher energy conversion efficiency of DSCs. This indicates that controlling the carrier transport is very important in improving the energy conversion efficiency of the DSCs. In addition, I will present nanowire-based photoanode architecture suitable for water splitting. Water can be split into hydrogen and oxygen by oxide semiconductors such as TiO2, BiVO4, Fe2O3, and WO3 which can absorb solar spectrum. Recent studies prove that a promising approach in this area is to separate light absorption and carrier transporting functions in the photoanodes. In this talk, I will introduce different types of composite photoanodes which are composed of light absorbing nanolayer and carrier-transporting nanowires. This is expected to open a new venue for efficient photoelectrochemical water splitting.

BIO: Dr. Jung-Kun Lee is currently associate professor and William Kepler Whiteford Faculty Fellow in the Department of Mechanical Engineering and Materials Science at University of Pittsburgh. He joined Pitt in September 2007 after more than five year service at Los Alamos National Laboratory. He received his PhD degree from the Department of Materials Science and Engineering at Seoul National University, Korea. His research interest lies in electronic and optical properties of semiconductor materials and their energy application. Specific emphasis is placed on 1) photovoltaic application of wide band-gap nanoparticles, 2) material processing of electronic materials in forms of nanoparticles and thin films, 3) optical and magnetic properties of nanoparticles, 4) the surface modification using ion implantation and chemical methods, 5) domain and strain engineering of ferroic materials. The scientific quality of his research is validated by more than 130 publications in refereed journals. He also holds 10 patents on the dielectric and optical applications of functional materials. INNOVATIONS IN MATERIALS CHEMISTRY | 11 SPEAKERS

Steven Little Department of Chemical and Petroleum Engineering University of Pittsburgh

Title: “Controlling Controlled Release to Make Medicine that Imitates Life”

ABSTRACT: Our research group intends to reproduce the basic spatio-temporal information transfer that naturally occurs between the cells in our body to regulate biological form and function. As it stands, such is out of the reach of modern medicine. Accordingly, this seminar will introduce the idea that it is now possible to engineer biomaterials-based controlled release systems that can mimic the prose and context of cell-driven “communication” with the goal of inducing and/or regulating key biological processes. As just one example, simple temporal control over the release of specific growth factors can induce robust formation of specific tissues that naturally regenerate via stage-wise processes. This is possible using recent advances in the precise design of controlled release formulations. In the same way, this concept can also be used to reproduce spatial information that cells (and even tumors) employ to manipulate immunological responses. Collectively, these new tools can effectively reproduce biological context and have already shown significant promise as next-generation medical treatments in a variety of disease models where current medical treatments have no answer.

BIO: Dr. Steven Little is associate professor of Chemical Engineering, Bioengineering, Immunology, Ophthalmology and The McGowan Institute for Regenerative Medicine at the University of Pittsburgh. He is also serves as the Chair of the Department of Chemical and Petroleum Engineering. His awards include career development awards from both the AHA and the NIH (K-Award), the Beckman Young Investigator Award from the Arnold & Mabel Beckman Foundation, the Swanson School of Engineering’s Board of Visitors Award, both Phase I and also Phase II Coulter Translational Research Award from the Wallace H. Coulter Foundation, the Society For Biomaterials’ Young Investigator Award, the Carnegie Science Award for University Educators, the Innovation in Opthalmic Research Award from Research to Prevent Blindness, and being named a “Teacher-Scholar” by the Camille & Henry Dreyfus Foundation. Dr. Little has also been awarded both the Chancellor’s Distinguished Research Award, and the Chancellor’s Distinguished Teaching Award from the University of Pittsburgh. Dr. Little is also a Co-Founder of Qrono Inc., which is a Pittsburgh-based start-up company that provides custom designed controlled release formulations for pharmaceutical companies, agricultural industry, and academic laboratories.

INNOVATIONS IN MATERIALS CHEMISTRY | 12