Adsorption of air pollutants onto silver and gold atomic clusters: DFT and PNO-LCCSD-F12 calculations-Reference-Cited by-同舟云学术

Adsorption of air pollutants onto silver and gold atomic clusters: DFT and PNO-LCCSD-F12 calculations

Published:2023 Issue:26 Volume:13 Page:18014-18024
ISSN:2046-2069
Container-title:RSC Advances
language:en
Short-container-title:RSC Adv.

Author:

Mohammadi Mohsen Doust¹,Patsalidis Nikolaos²,Bhowmick Somnath¹^ORCID,Harmandaris Vagelis A²³⁴,Biskos George¹⁵

Affiliation:

1. Climate and Atmosphere Research Centre, The Cyprus Institute, Nicosia 2121, Cyprus

2. Computation-based Science and Technology Research Centre, The Cyprus Institute, Nicosia 2121, Cyprus

3. Institute of Applied and Computational Mathematics (IACM), Foundation for Research and Technology Hellas, (FORTH), IACM/FORTH, GR-71110 Heraklion, Crete, Greece

4. Department of Mathematics and Applied Mathematics, University of Crete, GR-71409, Heraklion, Crete, Greece

5. Faculty of Civil Engineering and Geosciences, Delft University of Technology, Delft 2628 CN, The Netherlands

Abstract

We provide a comprehensive investigation of intermolecular interactions between atmospheric gaseous pollutants, including CH4, CO, CO2, NO, NO2, SO2, as well as H2O and Agn (n = 1–22) or Aun (n = 1–20) atomic clusters.

Funder

Research and Innovation Foundation

Horizon 2020 Framework Programme

Publisher

Royal Society of Chemistry (RSC)

Subject

General Chemical Engineering,General Chemistry

Link

http://pubs.rsc.org/en/content/articlepdf/2023/RA/D3RA01717F

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