Catalysts (ISSN: 2073-4344) has launched the new Section “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 top cited papers published in our Catalysts in 2022 and 2023. As open access publications, you have free and unlimited access to the full text of all of the articles published in our journal.

1. “Hall Current and Soret Effects on Unsteady MHD Rotating Flow of Second-Grade Fluid through Porous Media under the Influences of Thermal Radiation and Chemical Reactions”
by Omar T Bafakeeh, Kodi Raghunath, Farhan Ali, Muhammad Khalid, El Sayed Mohamed Tag-ElDin, Mowffaq Oreijah, Kamel Guedri, Nidhal Ben Khedher and Muhammad Ijaz Khan
Catalysts 2022, 12(10), 1233; https://doi.org/10.3390/catal12101233
Available online: https://www.mdpi.com/2073-4344/12/10/1233

2. “Sol-Gel Synthesis of ZnO Nanoparticles Using Different Chitosan Sources: Effects on Antibacterial Activity and Photocatalytic Degradation of AZO Dye”
by Ilham Ben Amor, Hadia Hemmami, Salah Eddine Laouini, Mohammed Sadok Mahboub and Ahmed Barhoum
Catalysts 2022, 12(12), 1611; https://doi.org/10.3390/catal12121611
Available online: https://www.mdpi.com/2073-4344/12/12/1611

3. “Electrocatalytic Oxygen Reduction to Hydrogen Peroxide on Graphdiyne-Based Single-Atom Catalysts: First-Principles Studies”
by Kangkang Lian, Qiang Wan, Rong Jiang and Sen Lin
Catalysts 2023, 13(2), 307; https://doi.org/10.3390/catal13020307
Available online: https://www.mdpi.com/2073-4344/13/2/307

4. “Synthesis, Characterization and Dye Removal Capability of Conducting Polypyrrole/Mn_0.8Zn_0.2Fe₂O₄/Graphite Oxide Ternary Composites”
by Mohamed A. Gabal, Enam A. Al-Harthy, Yasser M. Al Angari, Mohamed Abdel Salam, Ayman Awad, Amany A. Al-Juaid and Abdu Saeed
Catalysts 2022, 12(12), 1624; https://doi.org/10.3390/catal12121624
Available online: https://www.mdpi.com/2073-4344/12/12/1624

5. “Novel Bifunctional Nitrogen Doped MoS₂/COF-C₄N Vertical Heterostructures for Electrocatalytic HER and OER”
by Nan Zhang, Zhaodi Yang, Wenshan Liu, Fengming Zhang and Hong Yan
Catalysts 2023, 13(1), 90; https://doi.org/10.3390/catal13010090
Available online: https://www.mdpi.com/2073-4344/13/1/90

6. “Cu/O Frustrated Lewis Pairs on Cu Doped CeO₂(111) for Acetylene Hydrogenation: A First-Principles Study”
by Shulan Zhou, Qiang Wan and Shulan Zhou
Catalysts 2022, 12(1), 74; https://doi.org/10.3390/catal12010074
Available online: https://www.mdpi.com/2073-4344/12/1/74

7. “Non-Idealities in Lab-Scale Kinetic Testing: A Theoretical Study of a Modular Temkin Reactor”
by Gregor D. Wehinger, Bjarne Kreitz and C. Franklin Goldsmith
Catalysts 2022, 12(3), 349; https://doi.org/10.3390/catal12030349
Available online: https://www.mdpi.com/2073-4344/12/3/349

8. “Tailoring of Three-Atom Metal Cluster Catalysts for Ammonia Synthesis”
by Shuo Wang, Tingting Zhao and Likai Yan
Catalysts 2023, 13(5), 869; https://doi.org/10.3390/catal13050869
Available online: https://www.mdpi.com/2073-4344/13/5/869

9. “DFT Study of CO₂ Reduction Reaction to CH₃OH on Low-Index Cu Surfaces”
by Auhood S. Al-Soihi, Qana A. Alsulami and Mohamed Mokhtar M. Mostafa
Catalysts 2022, 12(10), 1200; https://doi.org/10.3390/catal12101200
Available online: https://www.mdpi.com/2073-4344/13/4/722

10. “Recent Strategies in Nickel-Catalyzed C–H Bond Functionalization for Nitrogen-Containing Heterocycles”
by Ke Yang, Zhi Li, Qingyue Hu, Mazen Elsaid, Chong Liu, Jun Chen and Haibo Ge
Catalysts 2022, 12(10), 1163; https://doi.org/10.3390/catal12101163
Available online: https://www.mdpi.com/2073-4344/13/4/722

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 our Section Managing Editor Ms. Cathy Yang.