COLLABORATIVE RESEARCH

Thrust 1:

Materials for Nano-electronic Devices and Sensors

Collaborators: I. Ramos (UPRH), N. Pinto (UPRH), W. Otaño (UPRC), A. Guadalupe (UPRRP), J. J. Santiago-Avilés (PENN), A. T. Johnson (PENN), R. Agarwal (PENN)

Devices and sensors based on organic/inorganic semiconductor nanofibers

N. J. Pinto (UPRH), A. T. Johnson Jr.(PENN, )R. Agarwal (PENN)

We propose to study charge transport in organic and inorganic
semiconductor nanofibers and nanoribbons via the fabrication of devices based on crossed junctions of these materials.Our goal is to improve device and sensor performance via this study and motivate students to pursue graduate studies in science and engineering.

Development of Galliun Nitride nanofibers for electronic and photonic devices

I. Ramos (UPRH), E. Campo (Lehigh U.), J. Santiago-Avilés (PENN), J. Kikkawa (PENN)

We propose to expand research on the development of GaN nanofibers using electrospinning. During the new grant period, we will enhance the fabrication process by studying changes in the fibers’ morphology and growth with processing parameters. We will study the electronic transport and cathodoluminiscence properties of the fibers with the goal of constructing nanodevices for electronic, photonic and sensing
applications.

Combinatorial analysis of metal oxides for gas sensor applications

W. Otaño (UPRC), V. Pantojas (UPRC), J. Santiago-Avilés (PENN)

In this project the UPR-Cayey and Penn team proposes to study metal oxides that are especially attractive as sensing elements such as ZnO, CuO, FeOx synthesized in polycrystalline nanostructures. Combinatorial materials science will be used in the synthesis of the sensing elements system.

Biosensing approaches toward the detection of pathogens with electrochemical transducers

A. Guadalupe (UPR RP), W. Otaño (UPRC), J. Santiago-Avilés (PENN)

During the new PREM grant period we will continue our efforts toward the optimization of an electrochemical platform for the detection of nucleic acids (probe-target) hybridization but will also extend them to the construction of a mirco-array of electrochemical biosensors. Each element of the micro-array will be constructed in the same way differing only by the nature of the oligosequence (probes).

Thrust 2:

Mathematical Modeling and Simulations of Materials.

Collaborators: J. Sotero-Esteva (UPRH), N. Zimbovskaya (UPRH), P. Negrón (UPRH), P. Moore (USiP), J. J. Santiago-Avilés (PENN), A. T. Johnson (PENN), M. Klein (PENN).

Electrostatic Interactions in Coarse Grain Models

J. Sotero (UPRH), P. Moore (USIP), M. Klein (PENN)

The field of molecular simulation has increasingly turned to Coarse Grained (CG) methods to overcome limitations in accessible system size and time scales. Our research plan is the following: Implementation of the algorithms and models of Electrostatic CG interactions; Test the models and algorithms with known models, and test the model on micelles formation and ion- channel formation.

Developing a GUI for Molecular Dynamics Simulations

J. Sotero (UPRH), A. T. Johnson (PENN)

Collaborators in this research team will also continue developing software for the visual representation of electrostatic potentials that will help determine the sensing mechanism in carbon nanotube field effect transistors for chemical and biological detectionwith zwitter-ionic lipid bilayer.

Comprehensive theoretical approach for the design and synthesis of nanomaterials with tunable functionalities for energy applications

N. Zimboskaya (UPRH), J. Santiago-Avilés (PENN)

Our proposed collaborative research aims at substantial improvement in capacitance, discharge times and other important characteristics of redox supercapacitors. We are intending to elaborate on novel, electronically active composites using polymer-wrapped carbon nanotubes. We expect these hybrid materials to enhance and improve key performance characteristics of capacitors.

Computing cavitated solutions for composite materials

P. Negrón (UPRH), P. Ponte Castañeda (PENN)

In this project we propose to de velop numerical schemes (either variations of those mentioned above or discontinuous FE methods) for the computation of cavitating solutions for composite materials, i.e., when the material of the body is a homogeneous mixture of several phases. This problem is extremely important from the engineering point of view due to the huge variety of matrix materials and microstructures.