Led by:

Led by:

Welcome to our website!

Welcome to the Computational Catalysis and Energy Materials Website!

Prof. Max García-Melchor

Assist. Prof. Max García-Melchor

Welcome to the CCEM group!
Led by:
Assist. Prof.
Max García-Melchor

We have a new PhD opening!
Apply for our Provost’s PhD Project Award and join our group
We have a new PhD opening!
Apply for our Provost’s PhD Project Award and join our group

Untangling Cooperative Effects of Pyridinic and Graphitic Nitrogen Sites at Metal‐Free N‐Doped Carbon Electrocatalysts for the Oxygen Reduction Reaction

Behan, J. A.; Mates-Torres, E.; Stamatin, S. N.; Domínguez, C.; Iannaci, A.; Fleischer, K.; Hoque, Md. K.; Perova, T. S.; García-Melchor, M.; Colavita, P. E. Small, 2019, 1902081.

Our latest collaboration with the experimental group of Prof. Colavita (Chemistry, TCD) is just out in Small !

Our latest collaboration with the experimental group of Prof. Colavita (Chemistry, TCD) is just out in Small !

Influence of Carbon Nanostructure and Oxygen Moieties on Dopamine Adsorption and Charge Transfer Kinetics at Glassy Carbon Surfaces

Behan, J. A.; Grajkowskia, F.; Jayasundara, D. R.; Vilella-Arribas, L.; García-Melchor, M.; Colavita, P. E. Electrochim. Acta, 2019, 304, 221–230.

Check out our latest collaboration with the experimental group of Prof. Colavita (Chemistry, TCD) published in Electrochim. Acta !

Our latest collaboration with the experimental group of Prof. Colavita (Chemistry, TCD) published in Electrochim. Acta !

RhIAr/AuIAr’ Transmetalation, a Case of Group Exchange Pivoting on Formation of M–M’ Bonds via Oxidative Insertion

Peñas-Defrutos, M.; Bartolomé, C.; García-Melchor, M.; Espinet, P. Angew. Chem. Int. Ed. 2019, 58, 1–6.

Our first paper of 2019 in collaboration with the group of Prof. Espinet published in Angew. Chem. Int. Ed. !

Our first paper of 2019 in collaboration with the group of Prof. Espinet published in Angew. Chem. Int. Ed. !

The CCEM Group is actively involved in the development of the new international taught M.Sc. in Energy Science offered at​ Trinity College Dublin.

The CCEM Group is actively involved in the development of the new international taught M.Sc. in Energy Science offered at​ Trinity College Dublin.

previous arrow
next arrow
Slider
 


   

Research Overview

 

Electrocatalysts for Sustainable Energy

One of the main driving forces in our group is the urgent need of finding low-cost materials to fill the gap between energy supply and demand with clean, reliable, and inexpensive energy. To achieve this major challenge in a reasonable amount of time, we employ advanced computational methods to understand electrocatalytic reactions for energy storage and conversion at the atomic scale. With this knowledge we then try to improve the catalytic performance of the electrode materials.
 

2D-Materials for Catalysis


Another highly active area of research in our group is that devoted to the modelling of 2D-materials as potential cost-effective catalysts for various industrial processes. Some of these reactions can be conducted both under thermal or electrochemical conditions. In these cases, we explore both options to predict which one provides the best catalytic activity and selectivity (if applicable), as well as the optimal experimental conditions.
 

Metal Oxides Catalysis


Transition metal oxides (TMOs) have been shown to effectively promote a wide variety of catalytic reactions, and hence, they are at the very heart of our research agenda. In addition to our investigations on TMOs as potential electrocatalysts for sustainable energy, our group is very interested in the modelling of chemical reactions catalysed by TMOs under thermal conditions. Again, our research in this area aims to provide a unique atomic description of these complex processes to eventually design TMOs materials with an enhanced performance.
 

Homogeneous Catalysis


One of the things that make our group unique is the fact that we have the expertise and know-how of modelling reactions catalysed by both solid surfaces and transition metal complexes. For the latter, we have considerable experience in the elucidation of reaction mechanisms and the theoretical description of the electronic structure of key reaction intermediates and transition states in industry-relevant processes.
 
 



Latest News



16th April 2018

Welcome to CCEM Group, Romain!

General, Group Members

Today we welcome to our group Romain Barda-Chatain, a 2nd year student from the Université Toulouse-III-Paul-Sabatier. He has joined the group for a 3-month Erasmus internship and he will be working on applying DFT methods to rationally...


 


Twitter Feed



3 days ago

Excellent news!! Very happy to hear that nightmare has finally come to an end! Looking forward to seeing your group up and running again doing great Science!! 🙌🏻

1 month ago

Wearable electronics require flexible, foldable, lightweight, and high-performance power sources. This work provides a route to devices with ultrahigh volumetric energy density and outstanding reliability



 



External Links

 

 


 



Contact Us

 

 
CCEM Logo

Address: Lloyd Institute
Trinity College Dublin
College Green
Dublin 2, Ireland
Phone: (+353) 01 896 8485
E-mail: garciamm@tcd.ie
: @CCEM_Group




© CCEM 2018