Adsorption of atmospheric gas molecules (NH3, H2S, CO, H2, CH4, NO, NO2, C6H6 and C3H6O) on two-dimensional polyimide with hydrogen bonding: a first-principles study-Reference-Cited by-同舟云学术

Adsorption of atmospheric gas molecules (NH3, H2S, CO, H2, CH4, NO, NO2, C6H6 and C3H6O) on two-dimensional polyimide with hydrogen bonding: a first-principles study

Published:2021 Issue:11 Volume:45 Page:5240-5251
ISSN:1144-0546
Container-title:New Journal of Chemistry
language:en
Short-container-title:New J. Chem.

Author:

Yu Sujing¹²³⁴,Zhang Dongzhi¹²³⁴^ORCID,Pan Wenjing¹²³⁴,Zeng Jingbin⁵²³⁴^ORCID

Affiliation:

1. College of Control Science and Engineering

2. China University of Petroleum (East China)

3. Qingdao 266580

4. China

5. College of Science

Abstract

In this study, we investigated the effects of hydrogen bond acceptors on the surface of two-dimensional polyimide towards NH₃, H₂S, CO, H₂, CH₄, NO, NO₂, C₆H₆ and C₃H₆O gas molecules through first-principles study based on density functional theory.

Funder

National Natural Science Foundation of China

Fundamental Research Funds for the Central Universities

State Oceanic Administration

Publisher

Royal Society of Chemistry (RSC)

Subject

Materials Chemistry,General Chemistry,Catalysis

Link

http://pubs.rsc.org/en/content/articlepdf/2021/NJ/D0NJ06013E

Reference48 articles.

1. Room-temperature high-sensitivity detection of ammonia gas using the capacitance of carbon/silicon heterojunctions