2007 - Chemical & Biomedical Engineering - University of South ...

Dr. Babu Joseph
Professor and Chair
joseph@eng.usf.edu
(813) 974-0692
website: http://www.eng.usf.edu/~joseph
Education:
Post-doctoral training, M.I.T., Cambridge, MA 1975-1978
Ph.D. ChE Case Western Reserve University, Cleveland, Ohio 1975
M.S.ChE, Case Western Reserve University, Cleveland, Ohio, 1974
B.Tech ChE, Indian Institute of Technology, Kanpur, India, 1971
Research Interests: Modeling, Simulation and Control, Sensors and
Signal Processing, Engineering Education, Corrosion Monitoring,
Biomedical Signal Processing.
Ab initio Study of Functionalized SWNTs as
Novel Hydrogen Sensing Materials
Quantum mechanical calculations are a powerful tool for
investigating chemistry and physics at an atomic scale. Here,
we apply state-of-art ab initio computational approaches to
study the sensing mechanism of Pd functionalized single
walled carbon nanotube (SWNT) based sensors, as well as to
design new Pd-SWNT based sensing materials by means of
surface modification, such as adjusting the arrangement of Pd
atoms and introducing other transition metal elements. The
special properties of functionalized carbon nanotube materials
make them attractive candidates for gas sensor devices. The
large surface area and the charge transport sensitivity of
single walled nanotubes have played a significant role in the
improvement of sensor performance. Experimentally, Pd
coated SWNTs have been shown to yield significant
improvements in response time and sensitivity. The broader
impact of this proposed project is to develop a fundamental
understanding of the mechanism of small molecular
interactions with nano-materials using computational
techniques, and to learn how to design and construct high
sensitivity and selectivity sensing materials for gas sensors.
Charge Density around H 2 molecule adsorbed on
different Carbon Nanotubes functionalized using a
single Pd atom. Computed Using VASP software
package.*
*From Maio, L., Joseph, B., Bhethanabotla, A., Ab Initio Study of
Single Pd Atom Functionalized Single-Walled Carbon Nanotubes as
Novel Hydrogen Sensing Materials. AIChE Annual Meeting, 2005
Recent Research Projects:
‣ Monitoring and Fault Detection Using
Multiscale Analysis with Application to
Biomedical Signal Processing
‣ Monitoring of Corrosion using Electrochemical
Noise
‣ Fischer-Tropsch Synthesis of Synthetic Liquid
Fuels
‣ Development of an Integrated, Design-
Oriented Chemical Engineering Undergraduate
Curriculum
Recent Publications:
Miao, L., Bhethanabotla, V., and Joseph, B.,
Interactions of Hydrogen with Pd and Pd/Ni Alloy
Chain-functionalized Single Walled Carbon
Nanotubes from Density Functional Theory. Phys.
Chem. B., 2006. 110(45): p.22415-22425.
Sankaranarayanan, K. R. S.; Bhethanabotla,
Venkat R.; Joseph, Babu. Molecular dynamics
simulation of temperature and strain rate effects
on the elastic properties of bimetallic Pd-Pt
nanowires. Physical Review B: (2007), 76(13),
134117/1-134117/13.
Sankaranarayanan, K. R. S.; Bhethanabotla,
Venkat R.; Joseph, Babu. Molecular Dynamics
Simulation Study of Phase Transformations in
Transition Bimetallic Nanowires. Journal of
Physical Chemistry C (2007),111(6), 2430-2439.
Sankaranarayanan, K., Bhethanabotla V., and
Joseph, B., Molecular Dynamics Simulation Study
of the Melting of Pd-Pt Nanoclusters. Physical
Reviews B, 2005. 71: p. 195415-1-5.
SWNT(6,6)
SWNT(10,0)
0.7 μ B 1.0 μ B
Books by Dr. Joseph
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