Ruqian Wu - US grants

This award from the Major Research Instrumentation Program will allow California State University Northridge to expand and strengthen the computational facilities at the Computational Materials Theory Center at California State University Northridge. The general goals of the Center are: (1) To conduct fundamental and applied research that enhances our knowledge in materials properties and processing through theory, modeling, simulation, visualization and computation; (2) To educate and train students through a program of studies and research activities on current and future materials-related technological challenges; and (3) To stimulate and develop strong industrial-university-national laboratory partnerships in materials research. The research programs include the electronic and mechanical properties of metals and intermetallics, the properties of strongly correlated electrons, the Quantum Hall effect and high temperature superconductivity, the optical and magneto-optical properties of materials, catalysis, and the Quantum Hall effect, the optical and magneto-optical properties of materials, catalysis, and magnetic and electronic properties of nanostructure materials in general. The award will provide a parallel computing paradigm capability allowing the center (1) to treat large numbers of atoms ab initio electronic structure codes, (2) to sample a larger number of configurations in Monte Carlo simulations and (3) to decrease the time steps in molecular dynamics simulations. The Center comprises of faculty, postdoctoral fellows, visiting scientists and students.

This award from the Major Research Instrumentation Program will allow California State Northridge to enhance the parallel computing capability at the Computational Materials Theory Center at California State University Northridge. This award will be leveraged substantially using funds from other federal agencies. The resulting massively parallel platform state-of-the-art facility will allow enhanced capability to investigate problems that are beyond current capabilities at the institution, such as bridging different length scales, increasing the configuration space in Monte Carlo simulations, and decreasing the time scale in molecular dynamics simulations. The facility will train students, including underrepresented minority students, and educate them in materials related technological challenges of the next century. The University was ranked first among master's degree-granting institutions in the number of baccalaureate graduates who went on to complete the Ph.D. in science and engineering fields.

ABSTRACT
Proposal Number: CTS-0642217
Principal Investigator: Regan, Regina
Affiliation: University of California-Irvine
Proposal Title: SGER: Fabrication and Optimization of Highly Ordered Assemblies of Metallic Nanowire and Nanocrystal Arrays

Intellectual Merit:

The fabrication of noble metal nanostructures immobile on Si substrates via self-assembly with feature sizes less than 10 nm and more notable inter-particle spacing on the order of nanometers via a self-assembled template is unique to this proposal. This experimental study is combined with ab initio structural calculations of interfaces involved in phase aggregation that leads to nanostructure formation. Theory and experiment are combined in order to optimize structure and to apply these principles to obtain a variety of structures and vary material in the structure. Characterization of optical properties of nanostructures will be addressed to demonstrate the feasibility of using these structures in surface plasmon resonance biological sensors. Metal nanoparticles with diameters much less than the wavelength of light and narrow inter-particle spacing have strong near field coupling due to a local enhancement of the electromagnetic field around these particles. Thus, in order to achieve maximum enhancement to the electromagnetic signal, the inter-particle spacing should be on the order of nanometers. By using self-assembly, the feature size, 8 nm, and inter-particle spacing achievable, ~10 nm, is smaller than that obtained with electron beam lithography and the throughput is much higher.

Broader Impacts:

The approach proposed uses self-assembly as a low-cost method to fabricate nanostructure arrays composed of noble metal nanocrystals and nanowires. The development and fundamental understanding of fabricating large-areas of uniformly-sized ensembles of noble metal nanocrystals and nanowires and investigating an efficient readout method will foster the emergence of low-cost and highly sensitive biosensing devices in addition to other applications such as transport of electromagnetic energy along metallic nanowires, and catalysis. This proposal will support the training of undergraduate and graduate students in a highly interdisciplinary area of science. Interest and experience in science and engineering will also be fostered via curriculum development, computer simulations and experimental data from this project incorporated in undergraduate and graduate courses.

TECHNICAL: This transformative experimental/theoretical research project will investigate the origin of the auxetic or negative Poisson's ratio behaviors of iron-gallium (Fe-Ga) and iron-aluminum (Fe-Al) alloys, which have been measured at values of as low as -0.78 and -0.45, respectively along a [110] crystallographic orientation. Systematic experimental fabrication and characterization, along with extensive density functional and molecular dynamics simulations will allow us to predict and optimize compositions, atomistic arrangements, fabrication conditions and test procedures for rational control of Poisson's ratio and the elastic constants of these intermetallic alloys. The intellectual merit of the research lies in applying the understanding of how elastic constants interact and produce auxeticity together with 1) advanced computational and theoretical tools for modeling binary Fe-Ga and Fe-Al alloys of tailored compositions, and 2) experiments that because of the ductility and relative simplicity of the two binary alloy systems are well suited for model validation and also for providing experimental results that can guide the modeling efforts. The outcome when successful will be learning how atomic placement and inter-atomic forces combine to result in this unusual property for a metal, an insight that will aid in developing tailored alloy performance characteristics. Single crystal Fe-Ga and Fe-Al samples with varying compositions and treatments will be studied. PIs will conduct tensile tests and measure other physical properties (such as magnetization, magnetic anisotropy, and optical spectra) for comparison with theoretical calculations under controlled temperature, magnetic field, load and strain rates. Density functional calculations will be performed to investigate the phase diagram and phase stability of different metalloid distribution patterns, and to directly determine elastic constants and Poisson's ratios. Comparative studies for these two systems allow disclosure of key factors that govern the Poisson's ratios in intermetallic alloys. NON-TECHNICAL: The success of this research project will also have a strong commercial impact in areas of materials research such as MEMS, shape memory and energy conversion. Both of these alloys can be sputtered and electrodeposited, and the ability to tailor unusual structural responses through compositional control of the negative Poisson's ratio suggests a huge potential for novel MEMs devices for industrial and defense applications. Educational impact will include training of two graduate students, who will be exposed to both theoretical and experimental research and who, although located on opposite coasts, will work closely on integrating research progress across disciplines. In addition to visiting each other's campus as appropriate, PIs have plans for both to visit Ames Lab during the summer term, where our collaborator will show the students the basics of growing and characterizing the alloys they are studying. Students will touch almost all the aspects of modern theoretical and experimental materials research. Additionally, research results will greatly enrich the curriculum of the course "Computational Approaches in Physics and Chemistry" developed by the co-Principal investigator, and it is ideally suited for well defined undergraduate research experiences working in the PI's lab. Several undergraduate projects will be undertaken to supplement the graduate student's research. The PI participates in outreach and recruiting of students at regional community colleges and high schools, and has extensive experience mentoring undergraduate student research projects through the NSF REU program and an NSF-sponsored Research Internship in Science and Engineering (RISE) Program run through or Women in Engineering Office.

National Science Foundation - Division of Chemical &Transport Systems Particulate & Multiphase Processes Program (1415)

Proposal Number: 0731349
Principal Investigators: Ragan, Regina
Affiliation: University of California Irvine
Proposal Title: Fabrication and Optimization of Highly Ordered Assemblies of Metallic Nanowire and Nanoparticle Arrays

Metal/rare earth disilicide core-shell nanostructure arrays on silicon substrates that have high density in addition to uniform size and shape will be designed, modeled, and characterized for incorporation into biosensor systems. Although noble metal nanostructures have demonstrated extraordinary capacity for single molecule detection limits in biosensors, one of the most significant challenges to technological developments that capitalize on their unique properties is the fabrication of arrays with monodisperse size, shape and high density using a low cost and high throughput technique. Recently, the principal investigator has developed a unique ultralarge scale compatible fabrication process for dense (~1011 cm-2) ordered arrays of monodisperse Pt and Au coreshell nanostructures on Si substrates. Physical vapor deposition of Pt and Au atoms on self-assembled nanowire templates followed by reactive ion etching produces noble metal/rare earth disilicide core-shell nanostructure arrays with mean particle diameter of less than 10 nm, a narrow size distribution, <1 nm, and inter-particle spacing of ~ 10 nm without lithography.
. Fabrication: Preliminary results demonstrate that the proposed synthesis route produced both Pt and Au nanostructures on self-assembled rare earth disilicide nanowires on Si(001) substrates. This successful fabrication technique will thus be applied to fabricate Ag and other metal core-shell structures in order to tune optical responses in different frequency range.
. Theory: Theoretical calculations of surface atomic structures of self-assembled templates, their interfaces with the Si(001) surface, and noble metal atom aggregation on nanowire template surfaces will be performed. The goal is to understand assembly mechanisms in order to optimize structure and make our process translatable to other material systems.
. Characterization: Atomic level resolution of surface structures and electronic states will be investigated by STM and spectroscopy.
Intellectual Merit: Metal nanostructures with diameters much less than the wavelength of light and narrow interparticle spacing have strong near field coupling due to a local enhancement of the electromagnetic field around these particles. We will address fundamental questions in this context: 1) how the arrangement of nanostructures in arrays affects signal enhancements; and 2) how to effectively pattern nanostructures over a large surface. Fabrication of monodisperse metal nanostructures in array format on Si substrates using microelectronic processing methods and combining self- assembly with lithography is unique to this proposal. Through the self-assembly process, the feature size, 8 nm, and inter-particle spacing achievable, ~10 nm, are smaller than that obtained with electron beam lithography and the throughput is much higher; thus unique optical properties can be attained. The synergistic theoretical and experimental studies will allow efficient and rational optimization and eventually massive production of nanostructures for biosensor applications.
Broader Impact: Innovative and high-throughput fabrication techniques of nanostructure arrays are significant for many emerging technologies such as nanocatalysis, spintronics, quantum computing and optochemistry. This proposed fundamental study will pave the way for successful fabrication of high density, uniformly dispersed, nanostructure arrays optimized for biosensor applications. Our proposed fabrication technique is apparently translatable for other applications and affords the possibility to scale to large areas for massive production due the compatibility with current semiconductor manufacturing technology. This proposal will also support the continued training of high school, undergraduate and graduate students through research opportunities and outreach activities.

TECHNICAL SUMMARY
In this project, the PIs advance understanding of the mechanisms that lead to grain-boundary mobility differences, texture development and abnormal growth of grains with a preferred texture/grain orientation in polycrystalline metals. They will use this understanding to develop low cost yet high-performance polycrystalline auxetic and/or magnetostrictive materials that are single-crystal-like. Their approach for this research will combine multiple-scale computational simulations, theoretical models and synergistically integrated insights gained from quantitative experimental studies of recrystallization, grain growth and texture development in rolled sheets of Fe-Ga (Galfenol) and Fe-Al (Alfenol) based binary and ternary alloys. Experiments will be used to explore relationships between anneal protocols and surface energy, grain mobility and texture development. Their hypothesis is that surface energy differences are the dominant driving force underlying the ability to selectively develop a grain structure and texture that is single-crystal-like. This hypothesis will be investigated by creating thermodynamic models of grain growth and texture development. In parallel, first-principle-based computational simulations and experimental studies of Galfenol and Alfenol will be conducted to aid in model formulation and validation, and to identify binary and ternary iron alloys with properties that should impart high auxeticity and/or magnetostriction in materials for which surface energy can be used to promote anisotropy development. This research is aligned with the SusChEM initiative through developing methods for processing magnetostrictive alloys that allow earth-abundant, inexpensive and benign chemicals, e.g. Al, Co, Ga, Mn and Sn, to be used as a replacement for expensive critical materials, the rare-earth elements such as Tb and Dy that comprise ~33at.% of Terfenol-D. The PIs will introduce a method for determining the surface energy of metal grains with a specific crystallographic orientation by tracking the contact angle of a drop of liquid gallium on grain surfaces of known orientation. This method overcomes shortcomings of existing methods, such as water-drop methods, that work for glass and polymeric surfaces with low surface energy and high-temperature destructive and/or creep-based methods that work for amorphous solids and samples for which isotropy is a reasonable approximation (e.g. highly polygranular samples).

NON-TECHNICAL SUMMARY:
This research will lead to the understanding needed to achieve the performance capabilities of costly single-crystal alloys in low-cost polycrystalline alloys. Models of atomic structure and energy-based models of crystal growth processes will be used to gain insights into how to control and target the selective growth of desired crystals at the expense of crystals with less favorable mechanical and/or magnetostrictive properties. The iron-aluminum and iron-gallium alloys that are one focus of this project have been targeted because of preliminary results that suggest they are good candidates for a sustainable alternative to magnetostrictive alloys used in industrial and defense applications that contain rare-earth elements like Terbium and Dysprosium. This research aligns well with the need for advances in the development of sustainable materials, as it focuses on methods for processing magnetostrictive alloys that allow earth-abundant, inexpensive and benign chemicals to be used as a replacement for expensive critical materials, the rare-earth elements that are both significantly more costly and significantly less abundant in the Earth's crust. The iron-aluminum and iron-gallium alloys to be studied are highly-auxetic, a mechanical property that is generally found in polymers but rarely in metals. The potential for high industrial impact of a structural auxetic alloy exists, as studies of non-structural auxetics (i.e. polymers) indicate that auxeticity can be used to enhance resistance to fracture and indentation. This research project will also support the training of postdoctoral, graduate and undergraduate students in modeling and processing anisotropic, rare-earth-free, single-crystal-like materials as well as in developing a new method for the measurement of surface energies of anisotropic solids. Students will disseminate research results in journal publications, conference papers and presentations. The team will mentor underrepresented (minority and women) high-school, undergraduate and graduate students under this project. The PIs will both continue to engage in on-going outreach to K-12 students.

Non-Technical Abstract

This project provides new understanding into the interaction energy between two electron spins with precise control of the distance between them by a homemade microscope capable of resolving dimensions below a millionth of the width of a human hair. The quantitative data form the basis for understanding magnetic ordering and provide numerical results that can be used (instead of parameters) in the analysis of a broad range of magnetic phenomena. The combined experimental and theoretical research impacts the next generation of information storage devices and futuristic technologies based on the electron spin properties of new materials. This microscope provides images of the spatially dependent interaction between two spins and allows direct visualization of this interaction. The use of homemade instrument to make measurements previously not possible to gain new understanding provides valuable education and training of students. This project teaches the students how to solve difficult problems and endows them with skills that allow them to tackle seemingly unrelated and highly challenging problems in their future careers. A byproduct of this research contributes to the creation of a highly skilled workforce in a society with increasingly sophisticated technologies.

Technical Abstract

The coupling between electron spins is central to the understanding of magnetic phenomena and forms the basis for a number of important effects in atoms, molecules, and condensed matter. For atoms and molecules with spin moments adsorbed on a solid surface and interacting with a nearby spin, the energy of coupling depends on the exchange interaction and the magnetic anisotropy. The electron spin-spin coupling can be probed in four dimensions (E,x,y,z) using the scanning tunneling microscope (STM), at 0.6 K and up to 9 Tesla magnetic field, by attaching a molecule with an electron spin to the tip and measure the coupling energy (E) at different locations (x,y,z) over a single magnetic atom or molecule adsorbed on the surface. The realization of the spin-tip requires the implementation of a novel synthetic method based on STM manipulation of single atoms and molecules. This project yields precise data that enable quantitative analysis by theoretical calculations. This synergy between experiment and theory leads to the validation of the theoretical framework in understanding magnetism at a level not previously attainable and further extends this project to new and unforeseen directions. Still, results of the spatial dependence of the spin-spin interaction may also deviate from the conventional expectation and thus require a new framework of thinking.

Nontechnical Abstract: The exchange coupling is a fundamental property of the electron spins. The magnitude and sign of exchange coupling define the strength and direction of the interaction between spins, essential for the understanding of a variety of magnetic and spintronic phenomena. But so far the spatial dependence of exchange coupling has not been measured. This project uses homemade instruments and advanced calculations to probe in unprecedented details the exchange interactions among magnetic atoms and molecules. These activities provide fertile grounds for the training of researchers. Results from this research are transferred into the classroom for the teaching of quantum mechanics to undergraduate students in physics and engineering. In addition, the goal is to increase impact by transfer of selected results to the textbooks, similarly to previous results from the scanning tunneling microscope obtained by the investigators. Results may be applied in future magnetic technologies. Extensive commitments are made in the training of undergraduate students as summer interns and outreaching activities with the Hispanic middle school students in Southern California.

Technical Abstract: The Hamiltonian for a quantized spin system formed by interacting magnetic atoms and molecules adsorbed on a solid surface yields an energy spectrum (E) that depends on the exchange interaction J and the magnetic anisotropy (A). This project probes J and A between magnetic entities in four dimensions (E,x,y,z) with a homemade ultrahigh vacuum scanning tunneling microscope (STM) at 600 mK and up to 9 Tesla magnetic field. The study of the continuous interactions between two spin entities is achieved by attaching a magnetic molecule to the STM tip to sense different magnetic entities on the surface, from an isolated magnetic atom or molecule (such as metallocenes, porphyrins, and phthalocyanines) to nanoscale assemblies. The E-spectra at different tip locations, perpendicular and parallel to the surface, give the spatial dependence of J and A, and their visualization through spectromicroscopy. This project combines a joint experimental and theoretical effort to measure and understand the new information contained in the spin-spin coupling in four dimensions. The well-defined conditions of the probed systems enable rigorous comparison between experiment and theory to effectively understand spin-spin coupling at the most fundamental level. This effort has been impeded in the past due to unavailability of reliable, quantitative data.

This award reflects NSF's statutory mission and has been deemed worthy of support through evaluation using the Foundation's intellectual merit and broader impacts review criteria.

The ability to visualize, break, and make individual chemical bonds with control and selectivity in space and time would significantly advance modern chemical science. A thorough description of the weak interactions associated with the forces between molecules remains challenging. With support from the Chemical Measurement and Imaging Program in the Division of Chemistry, Professor Wilson Ho and Professor Ruqian Wu at the University of California-Irvine carry out laboratory and computational research that seeks a deeper understanding of chemical interactions within and between molecules on metal surfaces at very low pressures. By taking information gained from experiments using a microscope that can give images of molecules with sub-atom precision ("itProbe") and using it in parallel with computer-aided visualization and simulation methods, Dr. Ho's team is probing the basic interactions between molecules and how those weak interactions are impacted by conditions that typically lead to changes in chemical properties, such as heat and light. Not only is the research area diverse from an expertise point of view, but the project team is dedicated to training of a wide array of researchers from many backgrounds, including undergraduates, with a focus on the recruitment of female and underrepresented students. Outreach activities are organized through the University of California-Irvine, with opportunities to work with Hispanic communities, particularly middle school students in underserved communities in southern California. Results from the research have potential for being shared via educational resources that impact a wide spectrum of users.

The proposed research will provide direct visualization of chemical interactions between atoms and molecules. The integration of experimental measurements and density functional theory calculations for static and dynamic properties enables the visualization, manipulation, and control of the quantum properties in space and time of molecular systems. Such basic understandings open up opportunities for the realization of practical molecular functionalities. Results from the proposed research are of technological importance, including catalysis, energy conversion, environmental management, molecular recognition, and quantum information processing. The proposed research addresses the spatial and temporal evolutions of chemical systems by measuring and imaging time-dependent phenomena. In this way, it becomes possible to visualize, manipulate, and coherently control the molecular properties to implement quantum functionalities. Furthermore, the proposed research manipulates the positions of adsorbed molecules with the microscope to enable the construction of novel nanostructures that are not possible by other means and to provide real-space visualization of the temporal evolution of chemistry.

This award reflects NSF's statutory mission and has been deemed worthy of support through evaluation using the Foundation's intellectual merit and broader impacts review criteria.

Nontechnical Abstract: The Materials Research Science and Engineering Center (MRSEC) at the University of California, Irvine (UCI) builds on UCI?s strengths in multidisciplinary science and engineering research to establish a major research hub for materials discovery and innovation in the Southern California academe-industry eco-system. The primary mission of this MRSEC is to establish foundational knowledge in materials science by developing new classes of materials that offer unique and broad functionalities. The MRSEC comprises two Interdisciplinary Research Groups (IRGs), each working in close collaboration to address Grand Challenges in national defense and human health. The first IRG aims to create materials which exhibit unprecedented physical properties, such as the ability to withstand extreme environments having applications in national defense. The second IRG team is addressing dynamic, responsive soft materials that are in essence living electronic materials serving as an interface with living systems for healthcare applications. Through seed projects, the UCI MRSEC engages new participants in exciting new research directions. It attracts a diverse group of scientists, including women, underrepresented minority groups, and persons with disabilities, from across the nation and trains future leaders at all academic and professional levels to address critical societal challenges. This MRSEC?s integrated activities?including novel materials research, partnerships with industry and national laboratories, entrepreneurial innovation, career development, and mentorship?are enabling a transformative long-term impact on fundamental science, advanced applications, and workforce development.

Technical Abstract: The UCI MRSEC combines an experimental, computational, and theoretical framework pursuing atomic- and molecular-level design and control of structure and dynamic response through two Interdisciplinary Research Groups (IRGs). IRG 1 investigates the atomic-level structure, chemistry, thermodynamics, and kinetics of interfaces in an emerging class of Complex Concentrated Materials (CCMs) that exhibit exceptional properties such as high strength, ultra-low thermal conductivity, and extremely large dielectric constants. Understanding their structure-property relationships guides design and processing of next-generation structural and functional materials. IRG 2 investigates dissipative self-assembly strategies to understand fundamental charge-matter interactions, with the goal to produce supramolecular ?living? materials. Development of conductive active materials, where assembly is fueled by chemical, electrical, and other stimuli, provides the intellectual framework for a new class of living electronic materials for bio-interfaces and biological computing. The research team leverages state-of-the-art electron microscopy facilities within the Irvine Materials Research Institute and pursues instrumentation innovations to characterize atomic-scale structure and dynamic properties. Multifaceted education, outreach, and collaborations with industry, national laboratories, and nonprofit organizations allow this MRSEC to achieve significant, long-term impact with the targeted scientific advances. This impact includes technological innovation, workforce development, and boosting of the regional and national economy. Synergistic activities provide holistic training of diverse junior scientists at all stages, from K-12, undergraduate, and graduate students to postdoctoral scholars and untenured faculty, further fostering inclusive excellence in STEM.

This award reflects NSF's statutory mission and has been deemed worthy of support through evaluation using the Foundation's intellectual merit and broader impacts review criteria.

With support from the Chemical Measurement and Imaging (CMI) Program in the Division of Chemistry, a research team led by Professors Wilson Ho and Ruqian Wu from the Departments of Chemistry and Physics and Astronomy, respectively, at the University of California-Irvine is developing a sophisticated measurement approach for studying the catalytic chemistry of carbon dioxide, an important greenhouse gas. This research has the potential to provide fundamental understanding that is needed to help develop the chemistry of carbon sequestration a very important environmental/climate science goal. An important objective is the application of sophisticated measurement tools to probe the mechanism for conversion of carbon dioxide to higher-value hydrocarbons using single-atom catalysts. Catalysis by single metal atoms deposited on a substrate enables conservation of valuable metals. This project will examine how metal atoms bind reactants and serve as catalytic centers for directed chemical reactions that are stimulated by electrons and light, rather than by heat. The team is working to combine chemical measurement and imaging at the atomic scale with theoretical calculations in order to characterize and visualize intermediate species that remain challenging to identify but whose observation would facilitate mechanistic understanding and thereby enable the development of catalysts for targeted reaction courses. This project seeks to provide missing knowledge that is crucial for controlling the chemistry of carbon dioxide while also advancing the state-of-the-art in precision measurement and theoretical methodology for studying the chemistry of single-atom catalysts. In addition to addressing one of the most consequential challenges in chemistry and the global implications for moderating climate change, the broader impacts of the work are enhanced by the emphasis on basic principles of chemical reactions that are transferrable to the classroom. Broader impacts of the project will include demonstrations involving liquid nitrogen and vacuum for middle school students from nearby underserved communities. The educational impact of the project will be enhanced through education and outreach activities in collaboration with the University of California-Irvine Eddleman Quantum Institute and the NSF Materials Research Science and Engineering Center, including opportunities to connect with high school students and undergraduate and graduate students from surrounding universities.<br/><br/>The nature of complex interactions between atoms, molecules, and substrates has for many years confounded insights into catalytic reactions. The design of effective catalysts is among the most urgent fundamental and technological challenges for energy harvesting and environmental protection. Chemical reactions occur rapidly and often indiscriminately in complex environment and at elevated temperature, and details of the reactions are difficult to obtain by density functional theory calculations and large ensemble statistical experiments. It is desirable to be able to measure and control chemical reactions step-by-step and associated intermediate species. This research explores with the scanning tunneling microscope (STM) the smallest catalytic centers in chemistry: a single active atom on an inert two-dimensional van der Waals monolayer or ultrathin insulating film. The reactions under study will proceed by inducing with different stimuli: mechanical motion of the tip, tunneling electrons, and light illumination. Furthermore, the spectro-microscopy capability is expected to provide direct real-space visualization of individual chemical bonds and skeletal structure of the chemical species. A deeper understanding of the local chemistry and reaction kinetics will rely on first-principles calculations to explain the data and make predictions to guide the experimental effort. This project will focus on the reduction of carbon dioxide to value-added hydrocarbons as fuels and will examine intermediate species with different electronic, vibrational, spin, structural, and energetic properties. The combined experiment-theory effort is designed to identify and identify these species and provide molecular-level information about their properties.<br/><br/>This award reflects NSF's statutory mission and has been deemed worthy of support through evaluation using the Foundation's intellectual merit and broader impacts review criteria.