Title: Carbon Nanomaterials and Transition Metal Oxides: Energy Storage, Spintronics and Bio-Sensing Applications
Speaker: Dr. Brahmanand Chakraborty, High Pressure & Synchrotron Radiation Physics Division, Bhabha Atomic Research Centre, Mumbai
Abstract: Graphene related nonmaterials have drawn immense attention as energy storage device (hydrogen energy & electro-chemical energy) due to their high surface area, high conductivity and high mechanical strength. Carbon nanostructures functionalized by transition metals are promising candidates for hydrogen storage media at ambient conditions. This presentation will describe Density Functional Theory (DFT) results on interaction, charge transfer mechanism and hydrogen storage capability of various 3d and 4d transition metals attached on various carbon nanostructure (graphene, graphyne, carbon nanotubes). This talk will also highlight electro-chemical energy storage performance of various graphene and transition metal oxides based hybrid structures, e.g.,MoO3/RGO, WO3/RGO, CrVO4/RGO for making electrodes for supercapacitors.
Recently, diluted magnetic semiconductors (DMS) have attracted special attention due to their magnetic and magneto-transport properties and possible applications in spintronic devices. Theoretical design on hole doped room temperature d0 Ferromagnetism in Y2O3 and SnO2 will be presented. Computation of Curie temperature and exchange energy will also be highlighted.
The increasing demand of glucose sensor has driven tremendous effort for the development of reliable, high precision and cost effective sensors. This talk will highlight DFT simulation results on the interactions and charge transfer mechanism of glucose on various nanostructured transition metal oxides, e.g, NiCo2O 4 , MnWO4, WO 3 and Mo3 etc.
Keywords: Garaphene, Hydrogen Storage, Carbon Nanomaterials, Ferromagnetism, Diluted Magnetic Semiconductor, Supercapacitors , Glucose Sensors,
References:
1. Abhijeet Gangan, Brahmananda Chakraborty*, Lavanya M. Ramaniah and Srikumar Banerjee, International Journal of Hydrogen Storage, 44, 16735 (2019)
2. Brahmananda Chakraborty*, Prithwish Kumar Nandi, Yoshiyuki Kawazoe and Lavanya M Ramaniah, Physical Review B 97, 184411, 2018
3. Sushanta K. Das,. .Suddhasatwa Basu, Brahmananda Chakraborty* and Bikash Kumar Jena *, Carbon 149 (2019) 307-317.
4. A. Yadav, ...Brahmananda Chakraborty, L. M. Ramaniah, R. Fernandes, A. Miotello, M. R. Press and N. Patel, CARBON, 143, 51-62, 2019.
5. Brahmananda Chakraborty, P. Modak and S. Banerjee, J. Phys. Chem. C, 116, 22502−22508 (2012).
6. A. Yadav, Brahmananda Chakraborty*, Abhijeet Gangan ,Nainesh Patel, M.R. Press and L. M. Ramniah Journal of Physical Chemistry C, 2017, 121 (31), pp 16721–16730.
7. Satyajit Ratha, .. Brahmananda Chakraborty Bikash Kumar Jena, Chandra Sekhar Rout, ACS Applied Materials & Interfaces 2017 9 (11), 9640-9653.
8. Naik, Kusha; .. Chakraborty, Brahmananda*; Rout, Chandra Sekhar*, ACS Applied Materials & Interfaces 2017 9 (28), pp 23894–23903.
9. Facile Production of Mesoporous WO3-rGO Hybrids for High-Performance Supercapacitor Electrodes: An Experimental and Computational Study, Samal, Rutuparna; Brahmananda Chakraborty*; Saxena, Manav; Late, Dattatray; Rout, Chandra Sekhar*,ACS Sustainable Chemistry & Engineering, 7, 2350, 2019