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Jeffrey Fagan

Research Interests

As project leader for the Particles, Tubes and Colloids project at NIST I seek to develop the metrology for, and characterize the fundamental properties of dispersed nanoparticles using solution phase methods. A primary target of my project's research is single-wall carbon nanotubes (SWCNTs), both as pristine materials, and as dispersed in liquid media.

SWCNTs are an exciting nanomaterial class with significant potential for use in a wide range of applications from solar energy to nano-medicine, to digital electronics and more. However, development of SWCNTs for almost all applications has been hindered by a general uncertainty in the fundamental properties and metrics of the material class, as well as materials quality issues and appropriate measurement techniques. In general, even defining the purity of a SWCNT sample has been a substantial challenge, and one that has delayed more rapid development of commerce in these materials.

Complicating matters is that SWCNTs are actually a class of many different chemical species, often called chiralities, defined by how the carbon sheet is (euphemistically) rolled up to generate the tube structure. Each SWCNT has its own unique diameter and physical properties. Depending on the species, SWCNTs can be metallic, semi-metallic or semi-conducting, and can have optical band gaps in different parts of the visible and infrared spectrum.

We pursue an iterative strategy based on separation of pure(r) populations to develop the basis of measurement science for SWCNTs and to measure fundamental nanotube properties. To produce purified fractions we use and develop dispersed-phase separation techniques (i.e. on nanotubes individualized in liquids) taken or extrapolated from the biosciences, colloids, and polymers fields. We have developed techniques in chromatographic, field-flow based, ultracentrifugation based, and utilizing multiphase separating polymer solutions to accomplish a range of technical capabilities. These include the ability to separate SWCNTs by their species to the single species level, by length with high resolution, and even by enatiomeric handedness. By producing better enriched samples with resolved parameters, we enable better (and cleaner) measurements of the fundamental properties of the SWCNTs, which in turn can drive improvement in the purification/separation science. Additionally, these improvements enable us to develop meaningful documentary standards by which SWCNT properties should be measured, and to produce reference materials with certified property values.

My personal research efforts revolve around the interrogation of the nanotube-solution interface, and in the use of colloid science based techniques for separations. Focuses are in the use of analytical ultracentrifugation to probe the adsorbed interfacial layer on the nanotube in complex environments, and on controlling that layer to drive separations and properties.

A key characterization method we use is analytical ultracentrifugation (AUC), a technique in which the motion of particles during centrifugation is directly observed. By varying parameters of the experiment it can be utilized to measure size distributions, binding interactions, or the densities of a nanotube (or other nanoparticles) in its native environments. Recent efforts in AUC have demonstrated the power of small changes in the structure of adsorbed molecules at the nanotube interface to make significant differences to the amount of molecules that adsorb, and the nanotube properties. By careful experimentation, we can link even the effects of single-point structural modifications to the dispersing molecules to the resulting properties of the nanoparticle-dispersant complex.

New efforts include characterization of materials ingested into the endohedral volume of the nanotubes, whether  that desired and beneficial or spontaneous and detrimental. These ingested materials can be controlled to significantly affect the properties of the nanotubes, whether optical or physical. This work builds upon our separation science strengths and builds upon our long standing interest in differences between empty and water-filled nanotubes.

Potential Post Doc Project Areas

1) Protein and Surfactant Corona Measurement on Dispersed Carbon Nanotubes
The shell of protein or surfactant molecules that surround a dispersed nanotube, whether in biological fluids such as serum, or non-biological dispersion dominates many of the interactions of the nanotube with its environment. Measuring the structure and nature of the dispersing molecules will allow for predictions of properties such as the zeta potential, and will provide important information for addressing the effects and potential accumulation sites of dispersed nanotubes in the human body and in the environment. Recent work at NIST and elsewhere are just now beginning to produce nanotube samples with known length, purity and chirality; these purified materials will be the starting point for measuring the structure and nature of the surrounding shell of adsorbed molecules.

2) Purified Nanotubes for Intrinsic Property Measurement
Carbon nanotubes are the subject of intense scientific interest for advanced applications such as biological sensors and flexible conductive coatings because of their remarkable strength and electrical properties. Developing and selecting nanotubes for these advanced applications will require the specific knowledge and demonstration of achievable properties beyond the theoretical predictions. In our recent efforts we and others have made progress towards isolating single length and diameter populations of nanotubes. In this project continued advancement of the separation technology and the optical characterization through multiple metrologies will be pursued.

3) Characterization of Complex Colloids via Analytical Ultracentrifugation
With the development of nanoparticle and colloidal technologies that include processing in the dispersed phase (or are fundamentally liquid phase processes) there is a need for measurement methods and applications of theory to adequately describe distributions of particles in complex fluid environments. In this project, the goal will be to develop analytical ultracentrifugation methods, with other polymer and colloidal science tools, to characterize particle or polymer distributions that occur in complex environments. Possible ideas for projects include characterization of Pickering (particle stabilized) emulsions for particle-interface adhesion strength, MW characterization of extended or structured polymers for organic electronics in organic solvents, characterization of interfacial coatings and interparticle interactions between single-wall carbon nanotubes in complex environments such as depleting polymers, or particle transport in nearly jammed suspensions.

Professional Background
  • 2008-present: Technical Working Area Chair (TWA 34), VAMAS
  • 2007-present: Chemical Engineer, Materials Science and Engineering Division (formerly Polymers Division), NIST
  • 2005-2007: NRC Postdoctoral Fellow, Polymers Division, NIST

    NIST Silver Medal Award, 2014
    NIST-Sigma Xi Katharine B. Gebbie Young Investigator Award, 2013
    Presidential Early Career Award for Scientists and Engineers (PECASE), 2010
    NIST Bronze Medal Award, 2009


Structural Insights into DNA-Stabilized Silver Clusters

Danielle Schultz, Robert G. Brinson, Fahriye N. Sari, Jeffrey A. Fagan, Christina Bergonzo, Nancy J. Lin, Joy P. Dunkers
The structure and dynamics of Ag complexes derived from single stranded DNA (ssDNA) is less understood than their double stranded (dsDNA) counterparts despite

Defect Evolution of Ion-Exposed Single-Wall Carbon Nanotubes

Jana Kalbacova, Elias J. Garratt, Raul D. Rodriguez, Angela R. Hight Walker, Kevin A. Twedt, Jeffrey A. Fagan, Teresa I. Madeira, Jabez J. McClelland, Babak Nikoobakht, Dietrich R. Zahn
A systematic evaluation of defects is essential to understand and engineer device properties and applications. Raman spectroscopy is employed for the

A radial calibration window for analytical ultracentrifugation

Thomas W. LeBrun, Peter Schuck, Wei Ren, Justine Yoon, Xianghui Dong, Nicole Y. Morgan, Jeffrey A. Fagan, Huaying Zhao
Analytical ultracentrifugation (AUC) is a first-principles based method for studying particles in solution by monitoring the evolution of their radial
Created October 9, 2019