Event From Date:
Friday, 6 April 2018
Event End Date:
Friday, 6 April 2018
Event Title:
SPS organises a seminar by Narayan Prasad Adhikari
Event Details:
School of Physical Sciences
Jawaharlal Nehru University, New Delhi
Title : Effect of Adsorption of CO and NO on MoS2/Graphene and Hetrostructures
Speaker: Narayan Prasad Adhikari
(Tribhuban University, Kathmandu)
Date: 06 April -2018
Time: 4pm, Friday
Venue: Seminar Room, SPS
Abstract : The functional relationship between MoS2 and graphene asheterostructure is important in practical applications. In this study, the density functional theory based first-principles calculations with generalized gradient approximation, incorporating van der Waals interaction is employed to investigate the geometries, 1nergetic of MoS2/graphene and graphene/MoS2 heterostructures, taking each component on basal plane, along with adsorption of CO and NO on MoS2/graphene heterostructure. Electronic band structures and density of states calculations suggest that the states at the Fermi level are contributed mostly by graphene, increases the conductivity of MoS2 along with the improvement of their quality.In addition, Mo-d states around Fermi level have contributed significantly to increase total states. These two heterostructures have similar mechanism for the construction but binding energy varies by 0.1 eV and binds, CO and NO molecules effectively.