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Page 1
Temperature-Controlled Syngas Production via Electrochemical CO2 Reduction on a CoTPP/MWCNT Composite in a Flow Cell.
ACS Appl Energy Mater. 2023 Jan 9;6(1):267-277. doi: 10.1021/acsaem.2c02873. Epub 2022 Dec 22.
ACS Appl Energy Mater. 2023.
PMID: 36644114
Free PMC article.
Density functional theory and machine learning for electrochemical square-scheme prediction: an application to quinone-type molecules relevant to redox flow batteries.
Hashemi A, Khakpour R, Mahdian A, Busch M, Peljo P, Laasonen K.
Hashemi A, et al. Among authors: khakpour r.
Digit Discov. 2023 Sep 12;2(5):1565-1576. doi: 10.1039/d3dd00091e. eCollection 2023 Oct 9.
Digit Discov. 2023.
PMID: 38013904
Free PMC article.
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Kinetics of N2 Release from Diazo Compounds: A Combined Machine Learning-Density Functional Theory Study.
Farshadfar K, Hashemi A, Khakpour R, Laasonen K.
Farshadfar K, et al. Among authors: khakpour r.
ACS Omega. 2023 Dec 15;9(1):1106-1112. doi: 10.1021/acsomega.3c07367. eCollection 2024 Jan 9.
ACS Omega. 2023.
PMID: 38222626
Free PMC article.
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Structural, optical, photoluminescence and antibacterial properties of copper-doped silver sulfide nanoparticles.
Fakhri A, Pourmand M, Khakpour R, Behrouz S.
Fakhri A, et al. Among authors: khakpour r.
J Photochem Photobiol B. 2015 Aug;149:78-83. doi: 10.1016/j.jphotobiol.2015.05.013. Epub 2015 May 27.
J Photochem Photobiol B. 2015.
PMID: 26048527
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A comparison study of C19T (T = C, Cr, Ti, Fe, and Ni) nanocages by first-principle DFT calculation for removal of ozone-destroyer pollutants.
Khakpour R, Peyravi M, Jahanshahi M.
Khakpour R, et al.
J Mol Model. 2020 Oct 6;26(11):295. doi: 10.1007/s00894-020-04532-z.
J Mol Model. 2020.
PMID: 33025115
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