CO2 Adsorption and Activation on the (110) Chalcopyrite Surfaces: A Dispersion-Corrected DFT + U Study-Reference-Cited by-同舟云学术

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CO2 Adsorption and Activation on the (110) Chalcopyrite Surfaces: A Dispersion-Corrected DFT + U Study

Published:2019-09-20 Issue:14 Volume:4 Page:15935-15946
ISSN:2470-1343
Container-title:ACS Omega
language:en
Short-container-title:ACS Omega

Author:

Khaledialidusti Rasoul¹^ORCID,Mishra Abhishek Kumar²,Barnoush Afrooz¹³

Affiliation:

1. Department of Mechanical and Industrial Engineering, NTNU, Trondheim 7491, Norway

2. Department of Physics, School of Engineering, University of Petroleum and Energy Studies, Bidholi via Premnagar, Dehradun 248007, UK, India

3. Curtin Corrosion Centre WASM-MECE, Curtin University, Bentley, Australia

Funder

Statoil

Department of Mechanical and Industrial Engineering, Norwegian University of Science and Technology

Norwegian Academy of Science and Letters

Publisher

American Chemical Society (ACS)

Subject

General Chemical Engineering,General Chemistry

Link

http://pubs.acs.org/doi/pdf/10.1021/acsomega.9b01988

Reference62 articles.

1. Crystal chemistry of the chalcogenides and pnictides of the transition elements

2. Copper oxidation state in chalcopyrite: Mixed Cu d9 and d10 characteristics

3. XPS andab initiocalculation of surface states of sulfide minerals: pyrite, chalcopyrite and molybdenite

4. Junction electroluminescence in CuInSe2

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1. Enhanced persulfate activation by ethylene glycol-mediated bimetallic sulfide for imidacloprid degradation;Chemosphere;2023-11

2. Theoretical Research on the Reduction of CO2 with H2S on Pyrite FeS2 Surfaces;Minerals;2023-10-04

3. First-principles study on the co-adsorption of water and oxygen molecules on chalcopyrite (112)-M surface;International Journal of Mining Science and Technology;2023-08

4. Adsorption mechanisms and effects of thiocarbamate collectors in the separation of chalcopyrite from pyrite minerals: DFT and experimental studies;Minerals Engineering;2022-01

5. A theoretical study on CO₂ at Li₄SiO₄ and Li₃NaSiO₄ surfaces;Physical Chemistry Chemical Physics;2022

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