Published 2019 | Version v1
Book Metadata-only

SO2 sensing through graphene sheet: ab-initio analysis

Creators

  • 1. Department of Chemical Engineering, Madhav Institute of Technology and Science, Gwalior-474005 (India)
  • 2. Advanced Material Research Group, CNTLab, ABV-Indian Institute of Information Technology and Management, Gwalior-474015 (India)
  • 3. Department of Chemical Engineering, HBTU, Kanpur-208002 (India)
  • 4. Department of Mechanical Engineering, Madhav Institute of Technology and Science, Gwalior-474005 (India)

Description

The tendency of graphene to absorb SO2 gas has made it a good choice of material for the chemical sensor in industries. This article explores the sensitivity behavior of the graphene sheet for SO2 gas molecule based on the Density Functional Theory (DFT) study. The Individual gas molecule of SO2 and the graphene sheet has been optimized to analyze their stability, before actually analyzing the adsorption mechanism of SO2 over graphene sheet. We found that the adsorption of SO2 molecule on the graphene sheet shows physical adsorption, discussed in terms of adsorption energy and charge transfer calculation, investigates that the charge is gained by the a molecules and loss by the O molecules. PDOS analysis has also been conducted to understand the interaction chemistry between the SO2 molecule and the graphene sheet. (author)

Part of:
Proceedings of the first international conference on advances in nanomaterials and devices for energy and environment: abstract proceeding

Additional details

Publishing Information

Publisher
Indian Institute of Information Technology and Management
Imprint Place
Gwalior (India)
Imprint Title
Proceedings of the first international conference on advances in nanomaterials and devices for energy and environment: abstract proceeding
Imprint Pagination
[179 p.]
Journal Page Range
[1 p.]

Conference

Title
international conference on advances in nanomaterials and devices for energy and environment
Acronym
ICAN-2019
Dates
27-29 Jan 2019
Place
Gwalior (India)

INIS

Country of Publication
India
Country of Input or Organization
India
INIS RN
52097405
Subject category
S77: NANOSCIENCE AND NANOTECHNOLOGY;
Resource subtype / Literary indicator
Conference
Descriptors DEI
CARBON NANOTUBES; DENSITY FUNCTIONAL METHOD; ELECTRON CORRELATION; FULLERENES; GRAPHENE; NANOMATERIALS; NANOPARTICLES
Descriptors DEC
CALCULATION METHODS; CARBON; CORRELATIONS; ELEMENTS; MATERIALS; NANOSTRUCTURES; NANOTUBES; NONMETALS; PARTICLES; VARIATIONAL METHODS

Optional Information

Notes
Article ID P-225