Site-specific ammonia adsorption and transduction on a naphthalimide derivative molecule – a complementary analysis involving <i>ab initio</i> calculation and experimental verification-Reference-Cited by-同舟云学术

Site-specific ammonia adsorption and transduction on a naphthalimide derivative molecule – a complementary analysis involving ab initio calculation and experimental verification

Published:2023 Issue:25 Volume:25 Page:17021-17033
ISSN:1463-9076
Container-title:Physical Chemistry Chemical Physics
language:en
Short-container-title:Phys. Chem. Chem. Phys.

Author:

Tiwari Aditya¹,Fernandes Rikitha S.²,Dey Nilanjan²,Kanungo Sayan¹³^ORCID

Affiliation:

1. Department of Electrical and Electronics Engineering, Birla Institute of Technology and Science-Pilani, Hyderabad Campus, Hyderabad, India

2. Department of Chemistry, Birla Institute of Technology and Science-Pilani, Hyderabad Campus, Hyderabad, India

3. Materials Center for Sustainable Energy & Environment, Birla Institute of Technology and Science-Pilani, Hyderabad Campus, Hyderabad, India

Abstract

This work presents the first density functional theory (DFT) calculation and experimental verification-based complementary approach for analyzing ammonia (NH3) adsorption/interaction in different sites of naphthalene diimide derivative molecules.

Funder

Birla Institute of Technology and Science, Pilani

Science and Engineering Research Board

Publisher

Royal Society of Chemistry (RSC)

Subject

Physical and Theoretical Chemistry,General Physics and Astronomy

Link

http://pubs.rsc.org/en/content/articlepdf/2023/CP/D3CP01373A

Reference70 articles.

1. Ammonia sensors and their applications—a review

2. Ammonia gas sensors: A comprehensive review