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Announcements

5 August 2022
Catalysts | Highly Cited Papers in 2020–2021 in the Section “Computational Catalysis”


Catalysts (ISSN: 2073-4344) has launched the Section “Computational Catalysis” (https://www.mdpi.com/journal/catalysts/sections/computational_catalysis), which is dedicated to publishing original computational-based investigations within the broad field of catalysis. This includes the development of new computational techniques and screening methods, as well as the rigorous application of current computational tools for discovering new catalysts, reaction mechanisms, or catalytic processes.

We welcome you to read the highly cited papers published in 2020 and 2021. As open access publications, you have free and unlimited access to the full text of all of the articles published in our journal.

1. “Dispersion of Defects in TiO2 Semiconductor: Oxygen Vacancies in the Bulk and Surface of Rutile and Anatase”
by Mohammadreza Elahifard et al.
Catalysts 2020, 10(4), 397; https://doi.org/10.3390/catal10040397
Available online: https://www.mdpi.com/2073-4344/10/4/397

2. “In Situ Spectroscopic Methods for Electrocatalytic CO2 Reduction”
by Ali Seifitokaldani et al.
Catalysts 2020, 10(5), 481; https://doi.org/10.3390/catal10050481
Available online: https://www.mdpi.com/2073-4344/10/5/481

3. “Exploring the Mechanism of Catalysis with the Unified Reaction Valley Approach (URVA)—A Review”
by Elfi Kraka et al.
Catalysts 2020, 10(6), 691; https://doi.org/10.3390/catal10060691
Available online: https://www.mdpi.com/2073-4344/10/6/691

4. “Trends and Outlook of Computational Chemistry and Microkinetic Modeling for Catalytic Synthesis of Methanol and DME”
by Myung-June Park et al.
Catalysts 2020, 10(6), 655; https://doi.org/10.3390/catal10060655
Available online: https://www.mdpi.com/2073-4344/10/6/655

5. “The Effects of the Metal Ion Substitution into the Active Site of Metalloenzymes: A Theoretical Insight on Some Selected Cases”
by Tiziana Marino et al.
Catalysts 2020, 10(9), 1038; https://doi.org/10.3390/catal10091038
Available online: https://www.mdpi.com/2073-4344/10/9/1038

6. “A Review: Scanning Electrochemical Microscopy (SECM) for Visualizing the Real-Time Local Catalytic Activity”
by Tzu-En Lin et al.
Catalysts 2021, 11(5), 594; https://doi.org/10.3390/catal11050594
Available online: https://www.mdpi.com/2073-4344/11/5/594

7. “Oxygen Reduction Reaction Catalyzed by Pt3M (M = 3d Transition Metals) Supported on O-doped Graphene”
by Qingfeng Ge et al.
Catalysts 2020, 10(2), 156; https://doi.org/10.3390/catal10020156
Available online: https://www.mdpi.com/2073-4344/10/2/156

8. “Bioinspired Design and Computational Prediction of SCS Nickel Pincer Complexes for Hydrogenation of Carbon Dioxide”
by Xinzheng Yang et al.
Catalysts 2020, 10(3), 319; https://doi.org/10.3390/catal10030319
Available online: https://www.mdpi.com/2073-4344/10/3/319

9. “Deciphering the Mechanism of Silver Catalysis of “Click” Chemistry in Water by Combining Experimental and MEDT Studies”
by Salah-Eddine Stiriba et al.
Catalysts 2020, 10(9), 956; https://doi.org/10.3390/catal10090956
Available online: https://www.mdpi.com/2073-4344/10/9/956

10. “Influence of Surface Ligands on Charge-Carrier Trapping and Relaxation in Water-Soluble CdSe@CdS Nanorods”
by Maria Wächtler et al.
Catalysts 2020, 10(10), 1143; https://doi.org/10.3390/catal10101143
Available online: https://www.mdpi.com/2073-4344/10/10/1143

If you are an active researcher in the field and are passionate about participating in cutting-edge research publications, please do not hesitate to contact the Section Managing Editor Ms. Carina Liu ([email protected]).

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