Visita Grupo VITRO

Lunes 14 de Abril de 2008

ACADEMIC INSTITUTIONAL PROGRAM OF NANOTECHNOLOGY

****

PRINATEC

Coordinator:

Dr. Daniel Glossman-Mitnik

UAMUAM

BUAP

CIATEC

CIMAV

CIQAUANL

UNISON

UNAM

IMP

UNAM

IMP

IPNIPN

CINVESTAV-DFCINVESTAV-DF

CINVESTAV-QROCINVESTAV-QRO

IPICYT

UASLP

Main research centers in México with activities in Nanoscience and/or Nanotechnology

PRINATECPRINATEC

• In CIMAV, most of the researchers perform activities related to Nanotechnology• During 2006 and 2007, more than 78% of the publications were related to Nanotechnology, and a large number is expected for 2008•We have current research projects with the private industry related to Nanotechnology•Present infraestructure is adequate, but it needs improvements

• Increasing world activity

• To avoid to be left behind

• To explore potential new markets

• The need of specialized human personal

Objective

To be national leaders and to have international presence in Nanoscience and Nanotechnology

• Interacting with prestigeous world leaders in Nanoscience and Nanotechnology • Adquisition of new equipment• UT (Austin) – CIMAV agreement -- CIMAV – SUNY/Albany agreement• Binational Laboratories México-USA, México-Germany (Nanotechnology)• Nanotechnology Consortium• Strategic Program of Nanotechnology, National Laboratory of Nanotechnology, • Nanotecnology National Initiative NANOMEX• Arizona State University

Academic Institutional Program of Nanotechnology

Academic Institutional Program

of Nanotechnology• Computational Simulation of the Molecular

Structure and Properties of Nanomaterials• Computational Nanotechnology (CAN)• Synthesis of Nanostructured Materials• Chemical and Physical Characterization of

Nanomaterials• Industrial Applications of Nanotechnology

Theoretical and Conceptual DFT

Corrosion Inhibitors

Pharmaceutical Drugs, Foods and Agrochemicals

Molecular Nanoelectronics and Nanobiosensors

Nanomolecular Catalysis

Nanomaterials for Storage and Conversion of Energy

Molecular and Metallic Clusters

FunctionalMolecular

Nanomaterials

Model Chemistry CHIH-DFT

Azathiophenes Fullerenes

Nanotubes

FunctionalMolecular

Nanomaterials

Synthesis and

Incorporation of

Quantum Dots within

Polymeric Matrices via

Mini-Emulsion

Polymerization:

Development of a New

Generation of Sensores

for Hydrocarbons

Synthesis and

Incorporation of

Quantum Dots within

Polymeric Matrices via

Mini-Emulsion

Polymerization:

Development of a New

Generation of Sensores

for Hydrocarbons

Polymer chain

Particle

Polymer chain

Particle

Composite

Nanocomposite

Polymer

Nanoparticles

+

Nanocomposites formed by Ag/carbon and PMMA nanoparticles

Nanocomposites formed by Ag/carbon and PMMA nanoparticles

LATEX PMMALATEX PMMA LATEX NanocompositeLATEX Nanocomposite

THEORETICAL STUDY OF TRANSFERENCE AGENTS TO

BE USED FOR RAFT POLYMERIZATION, SIMULATED

BY MEANS OF DFT

without a magnetic field in the presence of a magnetic field

MAGNETIC FLUIDS

The stability of the magnetic fluid is by far superior to 2 years

Metallic and Molecular Nanoclusters

Production and Characterization

of Composite Materials

Formed by Carbon

Nanotubes and Aluminium

Intermetallic Compounds YCo5

Magnetic materials based on SmCo5 are used in the automobile and electronic Magnetic materials based on SmCo5 are used in the automobile and electronic industries as well and others. YCoindustries as well and others. YCo55 could be an interesting alternative. could be an interesting alternative.

Applications:

ZnFe2O4 Nanoparticles

Other nanoparticlesOther nanoparticles• Silica• Alumina• Carbon nanotubes• Nickel oxides • Clays• Magnetic ferrites• CdSe

• Silica• Alumina• Carbon nanotubes• Nickel oxides • Clays• Magnetic ferrites• CdSe

Corrosion Inhibitors

Pharmaceutical Drugs, Foods and Agrochemicals

Computational simulation of the molecular structure and properties of antichagasic compounds linked to fullerenes

Fondo Sectorial SALUD-CONACYT

Computational Simulation of the

Molecular Structure and Propertes of Apple

Flavonoids Linked to Fullerenes and

Carbon Nanotubes

Computational simulation of the molecular structure and properties of steroidal precursors obtained from potato

• Fondo Sectorial SAGARPA • Computational Simulation of the

Molecular Structure and Properties of Solanine and Solanidine

Computational Study of the Molecular Structure and Properties of C60 Derivatives with Applications in Nanomedicine

• Discovery of some C60 derivatives that are water-soluble and thus of potential application if nanomedicine

• Computational molecular characterization of fullerene derivatives recently synthetized

• Determination of the structure, molecular properties, spectroscopy (IR, UV, NMR) and chemical reactivity

• Density Functional Theory (DFT)• Electric, magnetic and optical

properties• Study of the chemical reactivity in

order to find the active reaction sites

Figura 1.

Computational modelling of the molecular structure and properties of antifimic compounds linked to fullerenes and carbon nanotubes

NanomolecularCatalysis

NANOCATALYSTS

HAS-MoSxCyHAS-MoSxCy

(High Adsorptive Sulfur)(High Adsorptive Sulfur)

Molecular Nanoelectronicsand Nanobiosensors

When the fluorofore and the switch are linked there is no color, but when the hybridization with the target DNA takes place, there is a bright and shine fluorescence.

MOLECULAR BEACONS

TAMU

Molecular Dynamics study of self-assembled monolayers of organic molecules on metallic surfaces

Organic Semiconductors for Nanolectronics and NANOMELFOS

Theoretical and Conceptual DFT

Computational Nanotechnology (CAN)• Modelling and Design of Nanomaterials using Computers

• Computational Characterization of the Molecular Structure of Nanomaterials

• Prediction of the IR, Raman, UV-Vis and NMR Spectra of the Nanostructures

• Determination of the Electric and Magnetic Properties of the Nanomaterials

• Computational Simulation of the Thermochemicla Properties of the Nanomaterials in Gas Phase, Solid Phase and in Solution

• Analysis of the Chemical Reactivity of the Nanomaterials• Simulation of Chemical and Physical Processes of the

Nanostructures

Nanomaterials for Solar Energy Storage

and Conversion

In the NANOCOSMOS Group, we are engaged in theoretical and computational approaches for solving problems of interest nanoscience and nanotechnology.

Computational Chemistry of the Molecular Structure

and Properties of NANOMELFOS

********Organic Light-Emitting

and PhotovoltaicNanomaterials

• Organic Photovoltaics

• Organic Luminiscence – OLEDs

• Lithium-Ion Polymer Batteries

• PEM Fuel Cells

Computational simulation of the molecular structure and properties of nanomaterials potentially useful

for the fabrication

of solar cells and photovoltaic devices

Most of the solar cells used in the terrestrial applications are bulk-type single- or multi-crystalline silicon solar cells. However, a drastic reduction of cell cost and increase of the conversion efficiency cannot be expected by using the conventional materials and solar cell structures. Moreover, a shortage of the feedstock of high-purity silicon is predicted in the near future because of the requirements of the microelectronics industry. Therefore, research and development of solar cells with low production cost, high conversion efficiency and low feedstock consumption are required.

An important concept to reach this goal is to use nanostructured materials instead of bulk materials. The motivations to employ nanostructures in solar cells are largely divided into three categories as follows: 1.To improve the performance of conventional solar cells. 2.To obtain relatively high conversion efficiency from low grade

(inexpensive) materials with low production cost and low-energy consumption. 1.To obtain a conversion efficiency higher than the theoretical limit of conventional p–n junction solar cell.

• Organic semiconductors

• Good processability• Low cost

OPTOELECTRONICAPPLICATIONS

CONJUGATED POLYMERS

FULLERENES

PHOTOVOLTAIC DEVICES

N

C12H25O

C12H25O

Me

C60-3PV

ITO Al

Photocurrent

h

e-

e-

e-

e-

Zinc oxide (ZnO) has a large application potential owing to the diverse physical properties and the fine-tuning in the preparation process. The wide band gap of 3.2 eV has also made it suitable for short-wavelength optoelectronic devices, including UV detectors, photocatalysts, laser diodes and light-emitting diodes (LEDs).

The 21st century is seeing a big revolution in the way information is displayed electronically. Organic electroluminescent displays based on OLEDs on rigid or flexible substrates are envisioned to play a significant if not major role in the area of flat panel displays.

Computational Chemistry of the Molecular Structure and Properties of Electroluminescent Conjugated Polymers

Lithium-ion batteries are one of the great successes of modern materials electrochemistry. Their science and technology have been extensively reported.

However, for new generations of rechargeable lithium batteries, not only for applications in consumer electronics but especially for clean energy storage and use in hybrid electric vehicles, further breakthroughs in materials are essential. One avenue that is already opening up is that of nanomaterials for lithium-ion polymers batteries.

It is generally believed that PEMFCs (Polymer Electrolyte Membrane Fuel Cells) will play an important role in energy supply in the near future. Fuel cells will be providing energy for cars and trucks, producing electricity for utilities, and heating and cooling homes and businesses.PEMFCs use a proton exchange membrane as an electrolyte.

The proton-conducting membrane is the key component of a fuel cell system, because only extremely stable membranes can withstand the harsh chemical and physical environment, which includes active noble metal catalysts, temperatures, which can exceed 100◦C, aggressive fuels and their partial oxidation products, aggressive oxidants, and the formation of reactive radicals.

The high cost and environmental inadaptability of the fluorinated polymers used for PEM fuel cells, urge the necessity to develop alternative proton-conducting polymers. Theoretical studies of the systems can provide experimentalists with ideas about possible degradation routes and prove/correct existing assumptions for the performance reduction.

Nanotechnology Consortium CONACYT

Research Projects and Technological Development with the Private Industry:

• DESC• MABE• GCC• IMSA• COMEX

COMEX• Computational modelling of new

cromophores for their application in the painting industry

• Computational simulation of the rate constants and reactivity relationships of differentes monomers of common use in the painting industry

• Computational simulation of the solubility of the complex

Co[(Ethylendiamine) (2 Ethylhexanoate)2] in different solvents

PROLEC

• Bibliography search on nanotechnology and it potential applications to electrical equipment

Research Agreements with Academic USA Institutions

• UT – Austin

• SUNY – Albany

• Optoelectronics and Nanophotonics

• Chemical Sensors

• Carbon Nanostructures

• Nanoparticules

• Computational Simulation of Nanostructures

The University of Texas at Austin• Development of new nanomaterials for fuel cells

• Computational Nanotechnology

• Mechanical and microstructural characterization of aluminium based nanocomposites

CINT Users Workshop, Albuquerque, NM, January 2006

M.Sc. and Ph.D programs inMaterials Science - Orientation Nanotechnology

• Introduction to Nanotechnology• Introduction to BioNanotechnology• Appplications of Computational

Nanotechnology• Science and Technology of

Nanocomposites• Computational Chemistry for

Nanotechnology• Supramolecular Chemistry• Molecular Nanoelectronics

Thirty six students have been finished their studies during 2007 and the first months of 2008. From them, about 80%, that is, 29 students have presented a M.Sc. or Ph.D. Thesis related with the Nanotechnology research lines of CIMAV.

Thanks for your attention!!!

Dr. Daniel Glossman-MitnikCoordinator of the Academic Institutional

Program of NanotechnologyPhone: (614) 4391151

Secretary/FAX: (614) 4394852

E-mail: daniel.glossman@cimav.edu.mx

WEB page : http://www.cimav.edu.mx