Computational modelling of ammonia addition on partially reduced graphene oxide flakes-Reference-Cited by-同舟云学术

Computational modelling of ammonia addition on partially reduced graphene oxide flakes

Published:2021 Issue:43 Volume:23 Page:24738-24749
ISSN:1463-9076
Container-title:Physical Chemistry Chemical Physics
language:en
Short-container-title:Phys. Chem. Chem. Phys.

Author:

Makkos Eszter¹^ORCID,Bodrogi Dominika¹,Szieberth Dénes¹

Affiliation:

1. Budapest University of Technology and Economics, Budapest, Hungary

Abstract

Finite-sized molecules containing four epoxide groups were applied as PRGO nanoflake models to investigate NH3 adsorption with DFT. A multistep reaction with a non-typical nucleophilic substitution was found in which H2O can play a crucial role.

Funder

Nemzeti Kutatási és Technológiai Hivatal

Publisher

Royal Society of Chemistry (RSC)

Subject

Physical and Theoretical Chemistry,General Physics and Astronomy

Link

http://pubs.rsc.org/en/content/articlepdf/2021/CP/D1CP02320A

Reference71 articles.

1. The rise of graphene

2. Two-dimensional atomic crystals

3. Electric Field Effect in Atomically Thin Carbon Films

4. Two-dimensional gas of massless Dirac fermions in graphene

5. Experimental observation of the quantum Hall effect and Berry's phase in graphene

Cited by 5 articles. 订阅此论文施引文献订阅此论文施引文献，注册后可以免费订阅5篇论文的施引文献，订阅后可以查看论文全部施引文献

1. Design and development of solidly mounted bulk acoustic wave resonator (SMR)-based ammonia gas sensor;Bulletin of Materials Science;2024-07-16

2. Exploring the mechanism of graphene-oxide reduction by hydrazine in a multi-epoxide environment with DFT calculations;Physical Chemistry Chemical Physics;2024

3. Effect of reduced graphene oxide hybridization on ZnO nanoparticles sensitivity to NO2 gas: A DFT study;Journal of Ovonic Research;2023-03

4. Amino-functionalized graphene oxide membranes for efficient separation of Sr2+ ions;Journal of Water Process Engineering;2023-02

5. Synthesis and crystal structure of 2-(2-hydroxyphenyl)-1,3-bis(4-methoxybenzyl)-1,3-diazinan-5-ol;Acta Crystallographica Section E Crystallographic Communications;2022-06-28